diff --git a/builddeps/requirements_lock_3_11.txt b/builddeps/requirements_lock_3_11.txt index c69af35634..01efca3db9 100644 --- a/builddeps/requirements_lock_3_11.txt +++ b/builddeps/requirements_lock_3_11.txt @@ -405,20 +405,18 @@ einops==0.8.1 \ --hash=sha256:919387eb55330f5757c6bea9165c5ff5cfe63a642682ea788a6d472576d81737 \ --hash=sha256:de5d960a7a761225532e0f1959e5315ebeafc0cd43394732f103ca44b9837e84 # via jax-md -etils[epath]==1.13.0 \ +etils[epath, epy]==1.13.0 \ --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb # via # orbax-checkpoint # xprof -etils[epy]==1.13.0 \ - --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ - --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb - # via orbax-checkpoint flax==0.12.2 \ --hash=sha256:912fdd8a7c623ec8b2694b28d2827608e7fc82a3a6f8fff17ec5038f2bca66f4 \ --hash=sha256:e9723b0881e571abe61885bb8770f53fdb3c383b6b3f5a923dcf6f1e9a687905 - # via jax-md + # via + # jax-md + # jaxpi flexcache==0.3 \ --hash=sha256:18743bd5a0621bfe2cf8d519e4c3bfdf57a269c15d1ced3fb4b64e0ff4600656 \ --hash=sha256:d43c9fea82336af6e0115e308d9d33a185390b8346a017564611f1466dcd2e32 @@ -920,6 +918,7 @@ jax[cuda12]==0.8.2 \ # e3nn-jax # flax # jax-md + # jaxpi # jraph # neuralgcm # optax @@ -980,6 +979,9 @@ jaxlib==0.8.2 \ # jraph # neuralgcm # optax +jaxpi @ https://github.com/vimarsh6739/jaxpi/archive/6c22cfa9ac17eac4993aebf454b3af5d074fe430.tar.gz \ + --hash=sha256:3d0a0e003718c18d8ed588da053cefe467f86b0245461f7131dc422638ff9b32 + # via -r builddeps/test-requirements.txt jmp==0.0.4 \ --hash=sha256:5dfeb0fd7c7a9f72a70fff0aab9d0cbfae32a809c02f4037ff3485ceb33e1730 \ --hash=sha256:6aa7adbddf2bd574b28c7faf6e81a735eb11f53386447896909c6968dc36807d @@ -1641,6 +1643,7 @@ numpy==2.1.3 \ # jax # jax-md # jaxlib + # jaxpi # jmp # jraph # matplotlib @@ -1741,6 +1744,7 @@ optax==0.2.6 \ # via # flax # jax-md + # jaxpi # neuralgcm orbax-checkpoint==0.11.31 \ --hash=sha256:b00e39cd61cbd6c7c78b091ccac0ed1bbf3cf7788e761618e7070761195bfcc0 \ diff --git a/builddeps/requirements_lock_3_12.txt b/builddeps/requirements_lock_3_12.txt index 5a775d7c93..1ff3009337 100644 --- a/builddeps/requirements_lock_3_12.txt +++ b/builddeps/requirements_lock_3_12.txt @@ -405,20 +405,18 @@ einops==0.8.1 \ --hash=sha256:919387eb55330f5757c6bea9165c5ff5cfe63a642682ea788a6d472576d81737 \ --hash=sha256:de5d960a7a761225532e0f1959e5315ebeafc0cd43394732f103ca44b9837e84 # via jax-md -etils[epath]==1.13.0 \ +etils[epath, epy]==1.13.0 \ --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb # via # orbax-checkpoint # xprof -etils[epy]==1.13.0 \ - --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ - --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb - # via orbax-checkpoint flax==0.12.2 \ --hash=sha256:912fdd8a7c623ec8b2694b28d2827608e7fc82a3a6f8fff17ec5038f2bca66f4 \ --hash=sha256:e9723b0881e571abe61885bb8770f53fdb3c383b6b3f5a923dcf6f1e9a687905 - # via jax-md + # via + # jax-md + # jaxpi flexcache==0.3 \ --hash=sha256:18743bd5a0621bfe2cf8d519e4c3bfdf57a269c15d1ced3fb4b64e0ff4600656 \ --hash=sha256:d43c9fea82336af6e0115e308d9d33a185390b8346a017564611f1466dcd2e32 @@ -901,35 +899,27 @@ idna==3.11 \ importlib-resources==6.5.2 \ --hash=sha256:185f87adef5bcc288449d98fb4fba07cea78bc036455dd44c5fc4a2fe78fed2c \ --hash=sha256:789cfdc3ed28c78b67a06acb8126751ced69a3d5f79c095a98298cd8a760ccec - # via - # -r builddeps/test-requirements.txt - # etils + # via etils jaraco-functools==4.4.0 \ --hash=sha256:9eec1e36f45c818d9bf307c8948eb03b2b56cd44087b3cdc989abca1f20b9176 \ --hash=sha256:da21933b0417b89515562656547a77b4931f98176eb173644c0d35032a33d6bb # via cheroot -jax==0.8.2 \ +jax[cuda12]==0.8.2 \ --hash=sha256:1a685ded06a8223a7b52e45e668e406049dbbead02873f2b5a4d881ba7b421ae \ --hash=sha256:d0478c5dc74406441efcd25731166a65ee782f13c352fa72dc7d734351909355 # via # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt # chex # dinosaur # e3nn-jax # flax # jax-md + # jaxpi # jraph # neuralgcm # optax # orbax-checkpoint # tree-math -jax[cuda12]==0.8.2 \ - --hash=sha256:1a685ded06a8223a7b52e45e668e406049dbbead02873f2b5a4d881ba7b421ae \ - --hash=sha256:d0478c5dc74406441efcd25731166a65ee782f13c352fa72dc7d734351909355 - # via - # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt jax-cuda12-pjrt==0.8.2 \ --hash=sha256:717a1b196a642409ce195ddf031c20bbeadcc886f55e49a1d3f4927373aeedae \ --hash=sha256:e3bab41ca7c48e4163db9e7efd271b3aa85f0fe45f5ed0708d6bbed93a59f977 @@ -977,7 +967,6 @@ jaxlib==0.8.2 \ --hash=sha256:f472cc72e3058e50b5f0230b236d5a1183bf6c3d5423d2a52eff07bcf34908de # via # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt # chex # dinosaur # e3nn-jax @@ -986,6 +975,9 @@ jaxlib==0.8.2 \ # jraph # neuralgcm # optax +jaxpi @ https://github.com/vimarsh6739/jaxpi/archive/6c22cfa9ac17eac4993aebf454b3af5d074fe430.tar.gz \ + --hash=sha256:3d0a0e003718c18d8ed588da053cefe467f86b0245461f7131dc422638ff9b32 + # via -r builddeps/test-requirements.txt jmp==0.0.4 \ --hash=sha256:5dfeb0fd7c7a9f72a70fff0aab9d0cbfae32a809c02f4037ff3485ceb33e1730 \ --hash=sha256:6aa7adbddf2bd574b28c7faf6e81a735eb11f53386447896909c6968dc36807d @@ -1647,6 +1639,7 @@ numpy==2.1.3 \ # jax # jax-md # jaxlib + # jaxpi # jmp # jraph # matplotlib @@ -1747,6 +1740,7 @@ optax==0.2.6 \ # via # flax # jax-md + # jaxpi # neuralgcm orbax-checkpoint==0.11.31 \ --hash=sha256:b00e39cd61cbd6c7c78b091ccac0ed1bbf3cf7788e761618e7070761195bfcc0 \ diff --git a/builddeps/requirements_lock_3_13.txt b/builddeps/requirements_lock_3_13.txt index 48e220700e..2b477cfef8 100644 --- a/builddeps/requirements_lock_3_13.txt +++ b/builddeps/requirements_lock_3_13.txt @@ -154,10 +154,10 @@ attrs==25.4.0 \ # via # aiohttp # e3nn-jax -bibtexparser==2.0.0b8 \ - --hash=sha256:11eaaa1fe80154f70092e91fa7e3fed5e5c81021f6c6c09151e36b8533f36994 \ - --hash=sha256:eda1e6dbc7bbc040d351c926ead97a36f4734858656f3514a933259878bd37f1 - # via pymatgen +bibtexparser==2.0.0b9 \ + --hash=sha256:bcddf796cfe321bb92c17c844ca65d81731fb753a1dd0e82bc76a9947aa0f360 \ + --hash=sha256:c30c73a9b4e2e8a4669c8c4d726e2d285990553f60612d8c952786af3cf766ca + # via pymatgen-core cachetools==6.2.4 \ --hash=sha256:69a7a52634fed8b8bf6e24a050fb60bff1c9bd8f6d24572b99c32d4e71e62a51 \ --hash=sha256:82c5c05585e70b6ba2d3ae09ea60b79548872185d2f24ae1f2709d37299fd607 @@ -392,34 +392,31 @@ dm-haiku==0.0.16 \ --hash=sha256:cc355d4d5aaa85af20e5a23ccd278bc751232ac8e5971261bed39318c07d744f # via # -r builddeps/test-requirements.txt - # jax-md # neuralgcm donfig==0.8.1.post1 \ --hash=sha256:2a3175ce74a06109ff9307d90a230f81215cbac9a751f4d1c6194644b8204f9d \ --hash=sha256:3bef3413a4c1c601b585e8d297256d0c1470ea012afa6e8461dc28bfb7c23f52 # via zarr -e3nn-jax==0.20.8 \ - --hash=sha256:e4112a1dcb751c7957dc3b8c0177491e91ecea97bf54416f0996f2c4ca7e3b5a \ - --hash=sha256:ef9ab069fa9a6ee64aa85237d86ce59419a7b8bd9feb6795b61fe9b0c3faaa2a +e3nn-jax==0.21.0 \ + --hash=sha256:c1e69de4651d6e8a134c0a2b29285e71d58943717c3f37dc0e29dde8f5b39719 \ + --hash=sha256:f912707bafaf7a9893f1d83ab2e319455e6fafaaa9da3b0c4e39de5c2accd934 # via jax-md -einops==0.8.1 \ - --hash=sha256:919387eb55330f5757c6bea9165c5ff5cfe63a642682ea788a6d472576d81737 \ - --hash=sha256:de5d960a7a761225532e0f1959e5315ebeafc0cd43394732f103ca44b9837e84 +einops==0.9.0.dev0 \ + --hash=sha256:318ee9b2998f603cbdb0447ab864bb6e3657652d9d5d8552211504685862ee0a \ + --hash=sha256:9cd97ef9fc37ff36d02778f0b2d71a8cd8c064e180885e01e772c0c0a8154b4d # via jax-md -etils[epath]==1.13.0 \ +etils[epath, epy]==1.13.0 \ --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb # via # orbax-checkpoint # xprof -etils[epy]==1.13.0 \ - --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ - --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb - # via orbax-checkpoint flax==0.12.2 \ --hash=sha256:912fdd8a7c623ec8b2694b28d2827608e7fc82a3a6f8fff17ec5038f2bca66f4 \ --hash=sha256:e9723b0881e571abe61885bb8770f53fdb3c383b6b3f5a923dcf6f1e9a687905 - # via jax-md + # via + # jax-md + # jaxpi flexcache==0.3 \ --hash=sha256:18743bd5a0621bfe2cf8d519e4c3bfdf57a269c15d1ced3fb4b64e0ff4600656 \ --hash=sha256:d43c9fea82336af6e0115e308d9d33a185390b8346a017564611f1466dcd2e32 @@ -428,57 +425,57 @@ flexparser==0.4 \ --hash=sha256:266d98905595be2ccc5da964fe0a2c3526fbbffdc45b65b3146d75db992ef6b2 \ --hash=sha256:3738b456192dcb3e15620f324c447721023c0293f6af9955b481e91d00179846 # via pint -fonttools==4.61.1 \ - --hash=sha256:0de30bfe7745c0d1ffa2b0b7048fb7123ad0d71107e10ee090fa0b16b9452e87 \ - --hash=sha256:10d88e55330e092940584774ee5e8a6971b01fc2f4d3466a1d6c158230880796 \ - --hash=sha256:11f35ad7805edba3aac1a3710d104592df59f4b957e30108ae0ba6c10b11dd75 \ - --hash=sha256:15acc09befd16a0fb8a8f62bc147e1a82817542d72184acca9ce6e0aeda9fa6d \ - --hash=sha256:17d2bf5d541add43822bcf0c43d7d847b160c9bb01d15d5007d84e2217aaa371 \ - --hash=sha256:2180f14c141d2f0f3da43f3a81bc8aa4684860f6b0e6f9e165a4831f24e6a23b \ - --hash=sha256:21e7c8d76f62ab13c9472ccf74515ca5b9a761d1bde3265152a6dc58700d895b \ - --hash=sha256:41a7170d042e8c0024703ed13b71893519a1a6d6e18e933e3ec7507a2c26a4b2 \ - --hash=sha256:41ed4b5ec103bd306bb68f81dc166e77409e5209443e5773cb4ed837bcc9b0d3 \ - --hash=sha256:497c31ce314219888c0e2fce5ad9178ca83fe5230b01a5006726cdf3ac9f24d9 \ - --hash=sha256:4c1b526c8d3f615a7b1867f38a9410849c8f4aef078535742198e942fba0e9bd \ - --hash=sha256:4d7092bb38c53bbc78e9255a59158b150bcdc115a1e3b3ce0b5f267dc35dd63c \ - --hash=sha256:4f5686e1fe5fce75d82d93c47a438a25bf0d1319d2843a926f741140b2b16e0c \ - --hash=sha256:58b0ee0ab5b1fc9921eccfe11d1435added19d6494dde14e323f25ad2bc30c56 \ - --hash=sha256:5ce02f38a754f207f2f06557523cd39a06438ba3aafc0639c477ac409fc64e37 \ - --hash=sha256:5fade934607a523614726119164ff621e8c30e8fa1ffffbbd358662056ba69f0 \ - --hash=sha256:5fe9fd43882620017add5eabb781ebfbc6998ee49b35bd7f8f79af1f9f99a958 \ - --hash=sha256:64102ca87e84261419c3747a0d20f396eb024bdbeb04c2bfb37e2891f5fadcb5 \ - --hash=sha256:664c5a68ec406f6b1547946683008576ef8b38275608e1cee6c061828171c118 \ - --hash=sha256:6675329885c44657f826ef01d9e4fb33b9158e9d93c537d84ad8399539bc6f69 \ - --hash=sha256:75c1a6dfac6abd407634420c93864a1e274ebc1c7531346d9254c0d8f6ca00f9 \ - --hash=sha256:75da8f28eff26defba42c52986de97b22106cb8f26515b7c22443ebc9c2d3261 \ - --hash=sha256:77efb033d8d7ff233385f30c62c7c79271c8885d5c9657d967ede124671bbdfb \ - --hash=sha256:78a7d3ab09dc47ac1a363a493e6112d8cabed7ba7caad5f54dbe2f08676d1b47 \ - --hash=sha256:7c7db70d57e5e1089a274cbb2b1fd635c9a24de809a231b154965d415d6c6d24 \ - --hash=sha256:8c56c488ab471628ff3bfa80964372fc13504ece601e0d97a78ee74126b2045c \ - --hash=sha256:91669ccac46bbc1d09e9273546181919064e8df73488ea087dcac3e2968df9ba \ - --hash=sha256:9b666a475a65f4e839d3d10473fad6d47e0a9db14a2f4a224029c5bfde58ad2c \ - --hash=sha256:9cfef3ab326780c04d6646f68d4b4742aae222e8b8ea1d627c74e38afcbc9d91 \ - --hash=sha256:a13fc8aeb24bad755eea8f7f9d409438eb94e82cf86b08fe77a03fbc8f6a96b1 \ - --hash=sha256:a75c301f96db737e1c5ed5fd7d77d9c34466de16095a266509e13da09751bd19 \ - --hash=sha256:a76d4cb80f41ba94a6691264be76435e5f72f2cb3cab0b092a6212855f71c2f6 \ - --hash=sha256:aed04cabe26f30c1647ef0e8fbb207516fd40fe9472e9439695f5c6998e60ac5 \ - --hash=sha256:b148b56f5de675ee16d45e769e69f87623a4944f7443850bf9a9376e628a89d2 \ - --hash=sha256:b501c862d4901792adaec7c25b1ecc749e2662543f68bb194c42ba18d6eec98d \ - --hash=sha256:b846a1fcf8beadeb9ea4f44ec5bdde393e2f1569e17d700bfc49cd69bde75881 \ - --hash=sha256:b931ae8f62db78861b0ff1ac017851764602288575d65b8e8ff1963fed419063 \ - --hash=sha256:c33ab3ca9d3ccd581d58e989d67554e42d8d4ded94ab3ade3508455fe70e65f7 \ - --hash=sha256:c6604b735bb12fef8e0efd5578c9fb5d3d8532d5001ea13a19cddf295673ee09 \ - --hash=sha256:d8db08051fc9e7d8bc622f2112511b8107d8f27cd89e2f64ec45e9825e8288da \ - --hash=sha256:d9203500f7c63545b4ce3799319fe4d9feb1a1b89b28d3cb5abd11b9dd64147e \ - --hash=sha256:dc492779501fa723b04d0ab1f5be046797fee17d27700476edc7ee9ae535a61e \ - --hash=sha256:e6bcdf33aec38d16508ce61fd81838f24c83c90a1d1b8c68982857038673d6b8 \ - --hash=sha256:e76ce097e3c57c4bcb67c5aa24a0ecdbd9f74ea9219997a707a4061fbe2707aa \ - --hash=sha256:eff1ac3cc66c2ac7cda1e64b4e2f3ffef474b7335f92fc3833fc632d595fcee6 \ - --hash=sha256:f3cb4a569029b9f291f88aafc927dd53683757e640081ca8c412781ea144565e \ - --hash=sha256:f79b168428351d11e10c5aeb61a74e1851ec221081299f4cf56036a95431c43a \ - --hash=sha256:fa646ecec9528bef693415c79a86e733c70a4965dd938e9a226b0fc64c9d2e6c \ - --hash=sha256:fe2efccb324948a11dd09d22136fe2ac8a97d6c1347cf0b58a911dcd529f66b7 \ - --hash=sha256:fff4f534200a04b4a36e7ae3cb74493afe807b517a09e99cb4faa89a34ed6ecd +fonttools==4.63.0 \ + --hash=sha256:032038247a96c1690f9f31e377c389383c902531b085aa4e4dabd6f57f870e69 \ + --hash=sha256:063e08bd17bd5a90127a14123de0d6a952dbc847695fd98b63c043d58057f90c \ + --hash=sha256:0c18358a155d75034911c5ee397a5b44cd19dd325dbb8b35fb60bf421d6a72ac \ + --hash=sha256:0eac00b9118c3c2f87d272e45341871c5b3066baa3c86897fa634a7c3fb59096 \ + --hash=sha256:1e874792a8212b44583ea02189d9e693906b2f78b261f372f95d6c563210ac1d \ + --hash=sha256:22135da48a348785c5e2d5d2d9d6bec5ed44adacbaeb9db12d9493bf6c6bfa68 \ + --hash=sha256:22693918177bd9ceabec4736d338045f357769416fc6b0b2508eefef75b08616 \ + --hash=sha256:27fdc65af8da6f88b9c6121c47a464cbe359fcfff7ff6fc2d37a1f395d755b78 \ + --hash=sha256:2b8ae05d9eacf6081414d759c0a352769ac28ce31280d6bb8e77b03f9e3c449f \ + --hash=sha256:2c14b4fd138c4bafcca294765c547914e1aa431ae1ca94ab99d8db08c958bd3b \ + --hash=sha256:308f957cdeaf8abe4e5f2f124902ef405448af92c90f80e302a3b771c2e6116b \ + --hash=sha256:37dd23e621e3b0aef1baa70a303b80aaf38449632cfc8fd2a55fb285bbccfc02 \ + --hash=sha256:445af2eab030a16b9171ea8bdda7ebf7d96bda2df88ee182a464252f6e05e20d \ + --hash=sha256:51394295f1a51de8b5f30bdb1e1b9a4231536c7064ef5c6e211eec19fa36036f \ + --hash=sha256:58dc6bb86a78d782f00f9190ca02c119cf5bbe2807536e361e18d42019f877d8 \ + --hash=sha256:59ac449f8cca9b4ffa08d2e7bbadad87ce710d69d1eda5c3c1ce579baa987272 \ + --hash=sha256:6b2248c5decb223562f7902ff6325077a073f608ee8e33e88ad88db734eb9f49 \ + --hash=sha256:6d4741eb179121cab9eea4cb2393d24492373a260d7945006358c08cfbf45419 \ + --hash=sha256:6db5140a60a5d731d21ec076745b40a310607731b0a565b50776393188649001 \ + --hash=sha256:6e528da43bc3791085f8cb6141b1d13e459226790240340fcbb4625649238b03 \ + --hash=sha256:796f27556dbe094c4824f75ca85267e4df776c79036c8441469a4df37038c196 \ + --hash=sha256:79cdc9f567aec74a72918fd060283911406750cbc9fd28c1316023deb6ce31a9 \ + --hash=sha256:7d76edbff9014094dbf03bd2d074709dfa6ec7aba13d838c937a2b33d2d6a86e \ + --hash=sha256:7d782fac32985914c351556f68ac0855391572bcd87de50e05970d3cd4c96fc5 \ + --hash=sha256:7dd683fef0663e9f0f45cf541d788d24caa3ec9db50796b588e1757d8b3bc007 \ + --hash=sha256:85be818f5506e8a7753153def2c9550178f0ecae6a47b5e0e8dbb23f7cc90380 \ + --hash=sha256:948428a275741f0b64b113c955425a953314f4b9ab9997f73a72c83e68e569c8 \ + --hash=sha256:9ced0bd02ac751dd6319b0da88aaef24414e3b0dbc32bb4f24944821a3741a27 \ + --hash=sha256:9e12f105d2b6342c559c298afb674006bb2893afc7102dcf8a1b55b0486b4e40 \ + --hash=sha256:a8b33a82979e0a6a34ff435cc81317be1f95ec1ebb7a3a2d1c8a6a54f02ae44e \ + --hash=sha256:a9faff9e0c1f76f9fd55899d2ce785832efebab37eb8ae13995853aef178bef0 \ + --hash=sha256:af2fd1664d00a397d75f806985ddb36282091c2131a73a6485c23b4a34722263 \ + --hash=sha256:afefc1ed0a59785a7fb06ea7e1678e849c193e1e387db783579bc7b3056fcfcb \ + --hash=sha256:b1cd75a03ad8cb5bc40c90bfde68c0c47de423aa19e5c0f362b43520645eea94 \ + --hash=sha256:ba04cb5891d4c0c21b6da95eda8d7b090021508a294fff33464fc7d241e0856b \ + --hash=sha256:bf00f21eb5fb721dbaf73d1e9da6d02a1af7768f2ebcf9798be98beab8ba90f6 \ + --hash=sha256:c0425b277a59cff3d80ca42162a8de360f318438a2ac83570842a678d826d579 \ + --hash=sha256:c1aaa4b9c75798400ac043ce04d74e7830376c85095a5a6ed7cba2f17a266bf4 \ + --hash=sha256:c2a2a42198b696a6f48fad91709afb55176e66a5e566131219dba372fb7f8c59 \ + --hash=sha256:caeb583deeb5168e694b65cda8b4ee62abedfa66cf88488734466f2366b9c4e0 \ + --hash=sha256:cb014d58140a38135f16064c74c652ed57aa0b75cbf8bb59cac821f7edb5334e \ + --hash=sha256:ccf41f2efdf56994d22d73bef4ced1052161958169428d06ba9724ea9e9a64be \ + --hash=sha256:cd7e9857e5e63738b9d9fd707bc1f59c8b09e5177726d23664db393c59bb08bd \ + --hash=sha256:d76ac49f929aecaf82d83250b8347e099d7aecba0f4726c1d9b6df3b8bb5fe18 \ + --hash=sha256:d7e5c9973aa04c95650c96e5f5ad865fbf42d62079163ecfab1e01cbc2504c22 \ + --hash=sha256:dcf076a4474fe0d7367e5bbf5b052c7284fa1feca729c04176ce513521afd8a0 \ + --hash=sha256:e3297a6a4059b4acc3a1e9a8b04741f240a80044eef08ebd32e8b5bcdddce75b \ + --hash=sha256:ee08ebfa58f6e1aeff5697ab9582105bb620008c1caafb681e4c557e7483027b \ + --hash=sha256:ef3048ef05dbb552b89817713d9cac912e00d0fde4a3105c00d29e52e10c89af \ + --hash=sha256:fd1e3094f42d806d3d7c79162fc59e5910fcbe3a7360c385b8da969bc4493745 # via matplotlib frozendict==2.4.7 \ --hash=sha256:05dd27415f913cd11649009f53d97eb565ce7b76787d7869c4733738c10e8d27 \ @@ -902,35 +899,27 @@ idna==3.11 \ importlib-resources==6.5.2 \ --hash=sha256:185f87adef5bcc288449d98fb4fba07cea78bc036455dd44c5fc4a2fe78fed2c \ --hash=sha256:789cfdc3ed28c78b67a06acb8126751ced69a3d5f79c095a98298cd8a760ccec - # via - # -r builddeps/test-requirements.txt - # etils + # via etils jaraco-functools==4.4.0 \ --hash=sha256:9eec1e36f45c818d9bf307c8948eb03b2b56cd44087b3cdc989abca1f20b9176 \ --hash=sha256:da21933b0417b89515562656547a77b4931f98176eb173644c0d35032a33d6bb # via cheroot -jax==0.8.2 \ +jax[cuda12]==0.8.2 \ --hash=sha256:1a685ded06a8223a7b52e45e668e406049dbbead02873f2b5a4d881ba7b421ae \ --hash=sha256:d0478c5dc74406441efcd25731166a65ee782f13c352fa72dc7d734351909355 # via # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt # chex # dinosaur # e3nn-jax # flax # jax-md + # jaxpi # jraph # neuralgcm # optax # orbax-checkpoint # tree-math -jax[cuda12]==0.8.2 \ - --hash=sha256:1a685ded06a8223a7b52e45e668e406049dbbead02873f2b5a4d881ba7b421ae \ - --hash=sha256:d0478c5dc74406441efcd25731166a65ee782f13c352fa72dc7d734351909355 - # via - # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt jax-cuda12-pjrt==0.8.2 \ --hash=sha256:717a1b196a642409ce195ddf031c20bbeadcc886f55e49a1d3f4927373aeedae \ --hash=sha256:e3bab41ca7c48e4163db9e7efd271b3aa85f0fe45f5ed0708d6bbed93a59f977 @@ -949,9 +938,9 @@ jax-cuda12-plugin[with-cuda]==0.8.2 \ --hash=sha256:d68a6d8b4a45ee561746bac7a6468da8203832626b0b39ad4ac43011f61f875d \ --hash=sha256:dd4f7c34d4512ff5a36fd1b01584ef7781cad615e3f9e71880eae2f4998e5108 # via jax -jax-md==0.2.27 \ - --hash=sha256:3506cf7c07b84d6c9cf09243097bef465c81122a23ca8cc78a3627c8b9d97322 \ - --hash=sha256:efbefa5089a995a5c02405a4c930ba42f8eaf9322482998b5a422e45f631a0ab +jax-md==0.2.29 \ + --hash=sha256:b4e27fe280458bc862f32c5343f47c946be68ccb863e0b3feb310e0a8524c92c \ + --hash=sha256:b9f55455a199461babaecd95235f6223cc340b08c22ff318e71f577827f7ba7b # via -r builddeps/test-requirements.txt jaxlib==0.8.2 \ --hash=sha256:023de6f3f56da2af7037970996500586331fdb50b530ecbb54b9666da633bd00 \ @@ -978,7 +967,6 @@ jaxlib==0.8.2 \ --hash=sha256:f472cc72e3058e50b5f0230b236d5a1183bf6c3d5423d2a52eff07bcf34908de # via # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt # chex # dinosaur # e3nn-jax @@ -987,6 +975,9 @@ jaxlib==0.8.2 \ # jraph # neuralgcm # optax +jaxpi @ https://github.com/vimarsh6739/jaxpi/archive/6c22cfa9ac17eac4993aebf454b3af5d074fe430.tar.gz \ + --hash=sha256:3d0a0e003718c18d8ed588da053cefe467f86b0245461f7131dc422638ff9b32 + # via -r builddeps/test-requirements.txt jmp==0.0.4 \ --hash=sha256:5dfeb0fd7c7a9f72a70fff0aab9d0cbfae32a809c02f4037ff3485ceb33e1730 \ --hash=sha256:6aa7adbddf2bd574b28c7faf6e81a735eb11f53386447896909c6968dc36807d @@ -995,119 +986,264 @@ joblib==1.5.3 \ --hash=sha256:5fc3c5039fc5ca8c0276333a188bbd59d6b7ab37fe6632daa76bc7f9ec18e713 \ --hash=sha256:8561a3269e6801106863fd0d6d84bb737be9e7631e33aaed3fb9ce5953688da3 # via - # pymatgen + # pymatgen-core # scikit-learn jraph==0.0.6.dev0 \ --hash=sha256:350fe37bf717f934f1f84fd3370a480b3178bfcb61dfa217c738971308c57625 \ --hash=sha256:c3ac3a0b224b344eb6d367e8bc312d95ea41bf825d01ea31b80dd8c22c0dd8b8 # via jax-md -kiwisolver==1.4.10rc0 \ - --hash=sha256:019791b16388c20ec7c1dcd6cb76e2eb493d8b199e0fc443ee97c457b763607b \ - --hash=sha256:0315b7f45a244696093b53308d2546879341b3e85d4bf4a66e21d35e076aa7eb \ - --hash=sha256:04bc9f5acf650e30dd332989272e660e8e78f97f240a3c7765d6e15ee4db9146 \ - --hash=sha256:0786b140f2810f7cc425aa643538a48f2bbec1348fd21821939255cb12d4ad84 \ - --hash=sha256:07ba167734ff2616e6853c639d8919b91a8595d675fb940b90feed1e513dc141 \ - --hash=sha256:08362526667a90be7cca47bb67f8d4a17f43a835f31d06dbb6fadc097624d443 \ - --hash=sha256:0a6487724ff217c96fcd072289a5b9e48b88ded72d48cfa48105382ac5cae7b6 \ - --hash=sha256:0b034dc34bcd2ea55eae3481a9282df17a8941f2b55be5f32a93596b85da8161 \ - --hash=sha256:0b8bb7b6b3964d0454f8504e003097f2ae628679a1054ecb63578feeb7671cab \ - --hash=sha256:0ef8610afeec79ae3cbd9cfa36d4520c672fe0615a2a0ddbce235a510736b35d \ - --hash=sha256:1157c3cdf59068792409cab46a346520ab0c31545f709b2ed91a740ae6639951 \ - --hash=sha256:1aa25492271566984dfd8feb2566a8a0ebaed2e8b158935ead1cc52fb2e2a314 \ - --hash=sha256:1cb9ae443b2dba2229ac3b8a771420ee76bfce56f610dcb4998676cebed79346 \ - --hash=sha256:22954717039cdf96df76c2583be41fc211a87375e4d32eb2bbdbd071d2ce0dbb \ - --hash=sha256:244946ee11b873e9ae4f01d8bc8cfe44d6c7369421e1980b3220b27e5dccae79 \ - --hash=sha256:2727d842ff63050315d2a69334d64ed4ada261c04155c09d9534fd4033d38641 \ - --hash=sha256:28ec09dca9ab3a24027f2be104dfab99507c66ac2dad340ff88e061c73e23fb3 \ - --hash=sha256:2f200dd20e7c0637894c882e33c8945473e6de5415cbdebd2dce54c2a86bae28 \ - --hash=sha256:319c1c56b4497fe729c5c9c2a319957b8bf70b5bd036f478c20b8dccb906f8ad \ - --hash=sha256:374c11179eaacd3b8bfef677aa28a0a6d703b3474ea399f3b08b8e4d67522016 \ - --hash=sha256:3dde1fe2838d9ef93f0c66a564c9b369652127190b8da1e6378075d7a0176281 \ - --hash=sha256:44cd6dfea8a6c2becac4f3d60ebdcfe4fed858bbf7fe9cd38ffea7b58df66435 \ - --hash=sha256:453953bce6a745c7b84ea9e9f600802a5f5cbf4acf60efaa7832dd20acc40772 \ - --hash=sha256:4608d88b4f0210d7ad28a64fd8a291747eb665efbf10e6850051c2fa8c7af91b \ - --hash=sha256:468814c0e8f41b8f7b537da0c77a05a70f89aa4b7cfff96aa47f7936e57add9b \ - 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--hash=sha256:c31c13da98624f957b0fb1b5bae5383b2333c2c3f6793d9825dd5ce79b525cb7 \ + --hash=sha256:c438f6ca858697c9ab67eb28246c92508af972e114cac34e57a6d4ba17a3ac08 \ + --hash=sha256:c8277104ded0a51e699c8c3aff63ce2c56d4ed5519a5f73e0fd7057f959a2b9e \ + --hash=sha256:c95cab08d1965db3d84a121f1c7ce7479bdd4072c9b3dafd8fecce48a2e6b902 \ + --hash=sha256:cc0b66c1eec9021353a4b4483afb12dfd50e3669ffbb9152d6842eb34c7e29fd \ + --hash=sha256:cdee07c4d7f6d72008d3f73b9bf027f4e11550224c7c50d8df1ae4a37c1402a6 \ + --hash=sha256:ce9bf03dad3b46408c08649c6fbd6ca28a9fce0eb32fdfffa6775a13103b5310 \ + --hash=sha256:cff8e5383db4989311f99e814feeb90c4723eb4edca425b9d5d9c3fefcdd9537 \ + --hash=sha256:d168fda2dbff7b9b5f38e693182d792a938c31db4dac3a80a4888de603c99554 \ + --hash=sha256:d1ffeb80b5676463d7a7d56acbe8e37a20ce725570e09549fe738e02ca6b7e1e \ + --hash=sha256:d36ca54cb4c6c4686f7cbb7b817f66f5911c12ddb519450bbe86707155028f87 \ + --hash=sha256:d4193f3d9dc3f6f79aaed0e5637f45d98850ebf01f7ca20e69457f3e8946b66a \ + --hash=sha256:d5cd5189fc2b6a538b75ae45433140c4823463918f7b1617c31e68b085c0022c \ + --hash=sha256:d618fd27420381a4f6044faa71f46d8bfd911bd077c555f7138ed88729bfbe79 \ + --hash=sha256:d76e2d8c75051d58177e762164d2e9ab92886534e3a12e795f103524f221dd8e \ + --hash=sha256:daae526907e262de627d8f70058a0f64acc9e2641c164c99c8f594b34a799a16 \ + --hash=sha256:db485b3847d182b908b483b2ed133c66d88d49cacf98fd278fadafe11b4478d1 \ + --hash=sha256:dd952e03bfbb096cfe2dd35cd9e00f269969b67536cb4370994afc20ff2d0875 \ + --hash=sha256:dda366d548e89a90d88a86c692377d18d8bd64b39c1fb2b92cb31370e2896bbd \ + --hash=sha256:e315e5ec90d88e140f57696ff85b484ff68bb311e36f2c414aa4286293e6dee0 \ + --hash=sha256:e4415a8db000bf49a6dd1c478bf70062eaacff0f462b92b0ba68791a905861f9 \ + --hash=sha256:e7a116ae737f0000343218c4edf5bd45893bfeaff0993c0b215d7124c9f77646 \ + --hash=sha256:e7c4c09a490dc4d4a7f8cbee56c606a320f9dc28cf92a7157a39d1ce7676a657 \ + --hash=sha256:ebae99ed6764f2b5771c522477b311be313e8841d2e0376db2b10922daebbba4 \ + --hash=sha256:ec4c85dc4b687c7f7f15f553ff26a98bfe8c58f5f7f0ac8905f0ba4c7be60232 \ + --hash=sha256:ed3a984b31da7481b103f68776f7128a89ef26ed40f4dc41a2223cda7fb24819 \ + --hash=sha256:f18c2d9782259a6dc132fdc7a63c168cbc74b35284b6d75c673958982a378384 \ + --hash=sha256:f1f9f4121ec58628c96baa3de1a55a4e3a333c5102c8e94b64e23bf7b2083309 \ + --hash=sha256:f42c23db5d1521218a3276bb08666dcb662896a0be7347cba864eca45ff64ede \ + --hash=sha256:f443b4825c50a51ee68585522ab4a1d1257fac65896f282b4c6763337ac9f5d2 \ + --hash=sha256:f6764a4ccab3078db14a632420930f6186058750df066b8ea2a7106df91d3203 \ + --hash=sha256:f7c7553b13f69c1b29a5bde08ddc6d9d0c8bfb84f9ed01c30db25944aeb852a7 \ + --hash=sha256:fa6248cd194edff41d7ea9425ced8ca3a6f838bfb295f6f1d6e6bb694a8518df \ + --hash=sha256:fa8eb9ecdb7efb0b226acec134e0d709e87a909fa4971a54c0c4f6e88635484c \ + --hash=sha256:fc20894c3d21194d8041a28b65622d5b86db786da6e3cfe73f0c762951a61167 \ + --hash=sha256:fc4d3f1fb9ca0ae9f97b095963bc6326f1dbfd3779d6679a1e016b9baaa153d3 \ + --hash=sha256:fd40bb9cd0891c4c3cb1ddf83f8bbfa15731a248fdc8162669405451e2724b09 \ + --hash=sha256:ff710414307fefa903e0d9bdf300972f892c23477829f49504e59834f4195398 # via matplotlib locket==1.0.0 \ --hash=sha256:5c0d4c052a8bbbf750e056a8e65ccd309086f4f0f18a2eac306a8dfa4112a632 \ --hash=sha256:b6c819a722f7b6bd955b80781788e4a66a55628b858d347536b7e81325a3a5e3 # via partd +lxml==7.0.0a3 \ + --hash=sha256:00399952909ee229569a675e63aca514cc0801568c6ecd0e59350e0d1ef224a4 \ + --hash=sha256:005911f17f526928ace03833f90ff8677990ce20d5b52b1c2c5d4373d336171f \ + --hash=sha256:0175f1aa2a8b2c3f4f075b8284d313f26f0ec7131a4fa885ca1cfc2f01d292fc \ + --hash=sha256:032fbe02d001d2ad7ad3bd2d4d387d651adf7f910bdf85d1633ff7ea4fe26011 \ + --hash=sha256:03b3c2687562e13f34c2bb5b79d129342f43c4ae72949ccdfad275066976dfd6 \ + --hash=sha256:06597e008f702cddbf710826c1f04d6257eb5814616ad418613306c452ed5de4 \ + --hash=sha256:0abee637237fdf33d3374b11b24ffc127a051e54291bbba179a1e00d3068470f \ + --hash=sha256:0e72e5598c885d36ef82833c9dcd8ce0e961b49a2d20bdf59d510bab72485938 \ + --hash=sha256:0f0e6826e66d8c095ba34f32f7c4f8585c607b2ed9a36a19dc01da668f64ec8c \ + --hash=sha256:0f3fe2a2e20cd3850cc0575d33e30e2250b3810c373930d447ab48c0d40d7c37 \ + --hash=sha256:104d9ab97b0838610af24f346a758a48d8d253d434729e45f08bf9251beb58e8 \ + --hash=sha256:10ab55cd9379a6e256410f5541d588a00590aa3aa6ee196417bc735fa60b9867 \ + --hash=sha256:12093b3ec8dc092ad3b56575c7642c25002617fc71a7a7fabd2d7e37a7ad6e81 \ + --hash=sha256:1270ad92dac96883358b535cd7be091c8fc71b54e024828e0cf8c4603169ed48 \ + --hash=sha256:15f37091fd088da6cb9fa061ea1db6c910951342b410f77d711f132c1c91b548 \ + --hash=sha256:16a96adf8c45997ebcbdd10b2fcf85d3721b1b61045d72ec7c5e36810cacfb7c \ + --hash=sha256:1b55e976e5d0cdbc69a7fbb90c3d30611624e506daae2153cced20829a9a420e \ + --hash=sha256:1b76167887469ee9e6b57ef8cc6c8ea82380062fcfdf7afe225f2bda6c7c42b5 \ + --hash=sha256:1bd3c6b209567d33513451704e7dea6d4af3d141113e10af793191da2b449bff \ + --hash=sha256:1ee97592c7c9c17b8faa52e2b8a8132ca2064f76a4062c13a89349164e17bf08 \ + --hash=sha256:1f24edf92b881d7a8ce7c154d61cf3fae0dfe758ad3f64ee2313a6210459ce6f \ + --hash=sha256:220b3006aeadb7c3b97de20bbb0ac1b2a8f2edb59cf9f7e5c214c5f4ac52bf37 \ + --hash=sha256:22d00a93edc0f21c2f8a0b07a3baeefa71058cea6fcbbbd5d492b201e52cef54 \ + --hash=sha256:2944e368c90d28ec749f4ee403207063f103f4dcd525f4b9de39adbf3e6bb2bf \ + --hash=sha256:2cb7c32bf065487ea674d221f31d070de3729c958d8c6a1b793678a9aa8dce63 \ + --hash=sha256:2d4dcdf7cc8204e6ed0a125fbddadfa66f5dc7de19b5cb6035d30abebdc23b46 \ + --hash=sha256:2d739da3c28aa4d2981b889bbbb692fde984c3d1711babd4f8dfd5fc8aaf5863 \ + --hash=sha256:2e15d99e0e2d17127fbd4ac819412d4c04c958f486a2f1cfd80bbee12f3c079a \ + --hash=sha256:2f54c6c3df04d54b4455108089944a1a5be20f67dd3ab922aa4df681110d63c0 \ + --hash=sha256:30966db870cb2fab2c7dd13c451b46d648b98c89e60efed06b6cffbafdc5018c \ + --hash=sha256:32366f4f0214c6b3d4115150d282b93d6d27dfd56195656839346ecb76a661d6 \ + --hash=sha256:324867f3194a21e73e2f2da9a18360a92caf73d8e3f0f9bbdb275fa35c08de39 \ + --hash=sha256:32b3b4ddf32a6d14e27f7520d5ddcea79acc5115de561e7685ed9200b5e1bf0f \ + --hash=sha256:375c28e1062917a27c1ed3f384690dd4968683ff4414121111291530a4ee13f0 \ + --hash=sha256:383826605f9814c3b67db8e7987095dc6695114c3251fc2e8e0f2777f7ef2253 \ + --hash=sha256:39e4fdc563269eaf05dce07ca0371923ac83bc2e73e8ff6a800f7979a74abdbe \ + --hash=sha256:3a4a61ba582b0040dee02d80a8fdbcee0b33f06a22e6f558c7e5471acc2eb65e \ + --hash=sha256:3de4fc6c4f9966fac48471074a40f255b5dc6863c2408603c3b842d739521ad4 \ + --hash=sha256:3e91ef866bd5cb2452a952e2b483ed97f3d81551008f57a27eba90862120ec5a \ + --hash=sha256:3ed19be35a88efd9db2a5498aecc743ac50e5725e39d7a706be3c4244289b6f8 \ + --hash=sha256:42dc13994f4bea2118d62a621911a236269132283b3d3ab6d516097c65e4ca6f \ + --hash=sha256:46950e90aea5be0e4c97e0673ea88bb91cc498fa5e57a99f1be0870fb059ba85 \ + --hash=sha256:49266b1d59da8373fb8b11e1dd3453e756e4763033bfad09209a775da9a13097 \ + --hash=sha256:4d459077eaf65283cc7cca2179b3cd647e5af533e5c991973aa6a5b192ba8483 \ + --hash=sha256:4f4abb95384eaaa7bb851fff59fc4edfe50024510f8c5e592de3fe4fd4a561c0 \ + --hash=sha256:501da771eebc73f429d49cfb2948f7a345a7112a7be31d4e5bba875dbf77be5e \ + --hash=sha256:5239700b2be7b629864f7c1da087eaccb2930949be230f06fac0ec884c059112 \ + --hash=sha256:54efef916b6d5b4985226bf8b58c1604b2a8d0927cee6d20995713a298c249b9 \ + --hash=sha256:56651cd2cf15562454fe574363d0c741579d940c4fde8ab83be7b92ad5099a30 \ + --hash=sha256:5b26ebc0659f69ae4b820652fcbd6926815ab33d55b3789ca0b9283972fafdb9 \ + --hash=sha256:5cc69ba7f37d601fcdc4e1156405e6e3113443906a2faafb261e327db8654c10 \ + --hash=sha256:60ef176adb24ecfd37fde8bababa6074b83d9fe7f49616dcf9c82c99d92886ee \ + --hash=sha256:6171664bf87a1bc85b9915383dd5ff8d9f5304fc3fb3025794f9cec2afac08eb \ + --hash=sha256:61a7d5a4385faa2bad2ee74fb3a65db5285f49d137ffd28d9714f39bfe9a25d5 \ + --hash=sha256:61eb2097b3b3f889640551bd609140c1d0b7cb04562eddbf08613f0ec580ea80 \ + --hash=sha256:63e2fa2c40c127cb42c377f055f04862ef989dae89f236bd49d307f39a23c56c \ + --hash=sha256:664f56f94c5e9685e9b3fb6fe60f92c7e49dca8f0a3f95148f402f4b648bb28a \ + --hash=sha256:68013de481cc2b1e4865b12dc9ed6b5ac729b2b5e724627ec96dfb2717d1f92a \ + --hash=sha256:6a8d30425433c52722eada9140598228a5d65f22fe6c8cf6f11d58a9c6e06dbc \ + --hash=sha256:6ad47427abe1fdfe9c08ffe09dcc78429041c65f7ba01ba9756743bf714916c4 \ + --hash=sha256:6b90de57d75b05ca5ae5e46e1d2fe7301758ecc4868c843ea10cfcf83e5da21d \ + --hash=sha256:6c1a75d1f11944cbb93b770ea3e93a93eda0e6486df8ae2e943b760d9d505cae \ + --hash=sha256:6e6be955c7416bb1a9da87d0681c5ed3d18653d4e97f406b2c99bdbea42a9b5a \ + --hash=sha256:6f64bad0f6de462db33baabe5329560b93b0c26d51d83e58bf5aeadfba5ca686 \ + --hash=sha256:79f77375e15c8af12597c18edba55de83d8df2aee37a2b4904083d4e5fe100c6 \ + --hash=sha256:7c5191d995d7927b131d408109d7b5703fd32ee067d08d484567f751818b0465 \ + --hash=sha256:7d8f730da7d5bc6898f6afd7dbf0a028f648e75992e5d33f363c0c1008970b32 \ + --hash=sha256:7eaafc7143747c8f85d57f61ab171deeef94675a7f413e68867cf8e6e09692a0 \ + --hash=sha256:7f6959490e1d6d141833788c257383b0b3060f0589678673454b387b600b625d \ + --hash=sha256:7fbac5c2e3721404e61cf3df9dd4c4d627eb4c615423dd6f666ae73db381220b \ + --hash=sha256:80df8ed6c89a53d8183f0371671bccd65d434b68401818c2020c9b7992f3b7b9 \ + --hash=sha256:822480742e82147a2501345f1c3bbed2e372a67f2d8288e9bafe922433233185 \ + --hash=sha256:822e9ed689ab0cd44b49fcdb08bf828032e7bb7ba719df48a1d84078fd5c3eee \ + --hash=sha256:82a37bda527ce5671827daf698ca99028c6291225a2e8e6b4a5305d1a3a00b62 \ + --hash=sha256:8542a49345c38daf3748d3d8f19e58ddc84797fc6769d366db1f5deeb71c25c2 \ + --hash=sha256:876f8d52caedd470e312b05e74f6e442831a0f0a011d71dfd1898b8d0e4ca32f \ + --hash=sha256:94f280abf0a04592d3ce74c143518ee416374268434d498a3f2b6ebd2b2ae6ca \ + --hash=sha256:9516e8c0b05338a25661c4dc283507a63fdf45ab19ddbb3bba45ca62a24f2ae9 \ + --hash=sha256:9733b1aa51445caa0b7e0b1ec3c96992d5a258c5a2e0503cbfaf209e51b8630d \ + --hash=sha256:9899ee4195a8d13b66a73f38c8a43ab7426bf49a41b9a862b260188c165c5e4e \ + --hash=sha256:98ceb6b20053348f6995699d9cf7bb6ce1e6469557c3cb972c150919e2b2c800 \ + --hash=sha256:9d5bb9a063a16b9046d723af9582ae27849b49be426174631e9a0284a38dc9e2 \ + --hash=sha256:9e85d628005e660a678d84090138caa3ebf4c77c91e33ecda3db97c184f38c07 \ + --hash=sha256:9ec063673fa1685b5883cfcb55c8d920ee15768c8850dbffea1a94af0b5e57af \ + --hash=sha256:9feb496e3c92723d1c820cf2b6a912bd95828861efa2dc2851f550f641dbf5db \ + --hash=sha256:a9842e0028c57148942b6c95114484576de83db3da6678aac3922b25dc3c1cca \ + --hash=sha256:aa2c5f6945f417c8189bae371c28285225206ec02ad91c8d3f29cbfa8b96c936 \ + --hash=sha256:aa9a64a350df2d2ee12bb83092889cc1349836c6b119224beea8d381ec7cb1ca \ + --hash=sha256:ab36e21ebcaf14c7cff0bd47f6a0f4058ede27ca831a3f00160d5b288a727e05 \ + --hash=sha256:ad1aa5e93b6ac0b00a0b880ec6454b3bfdf12abc6fabed61ddc71aafdaf2c55b \ + --hash=sha256:afd8504f2ed77b95f67b5c07daaaaaa7c5e8848191307a0845e0eb63a3d217ce \ + --hash=sha256:b196211dccea50f552605007b8096b59a3c58265d10ba79f9f9c6f5a29bfd885 \ + --hash=sha256:b1e78404d4c1842a6c2ac57fb37c0132846996b224c3264d0b807f337def1c84 \ + --hash=sha256:b708ca168b7e9405dacc74b728d9395815e3df79fe690abc0f89faced7627e23 \ + --hash=sha256:b7efa39b384db9cc9f12d08ed39ed03b1ddcb5248d547d101e445dd16cbea4f2 \ + --hash=sha256:b8f1cc432df57fa6001508385a9edae5f6efc7652cd15ebadc6de11bf96d1b5c \ + --hash=sha256:bb84e340db120c12c11f7979b70c9510812f19e2b966573de82112b2c5d867a0 \ + --hash=sha256:bd80c2dcb65b48bccb7efce2573b2890f440d34a205d3572fbeb85d2a2389f87 \ + --hash=sha256:bdfc1708df864b873b26e0429528a8c721a2c7500a859b1353a39a531a7f0aeb \ + --hash=sha256:bf0eaefe3fcae821a99a0649325cc0d13e05f99a260459fb9ee3c64779cce208 \ + --hash=sha256:c45d3963a8d992218c2140e5cc334cd890024fa5d91673410d4227b59bcac620 \ + --hash=sha256:c65416e4ae595ffa11f1ee626abce4620b881b37f2bd385099075884ce9bf949 \ + --hash=sha256:c67996c2f9b8e61a468e0aa65e625da36ce80fc73be8e5dd2d5b68d70142df2a \ + --hash=sha256:c7fc9f5a28376b37e17a7f1306d7bf4117550a5d67f3287b5fe754bf54079379 \ + --hash=sha256:c9f55c2c6316c7b493eb76da9b83b8e24059e592975b09ecc6b9a0e8909e5217 \ + --hash=sha256:cb31ac99ee880bfc9cc080ab887ccd39cd8f4c654443be66f8383fda47c4a120 \ + --hash=sha256:d3bf781917cad3f32e4dba6c24a92108a7c4256315200f9d891246a388beac3a \ + --hash=sha256:d403e3509ec7f812462cf58d269b98be7e0486a9e65f84532ef643864606247f \ + --hash=sha256:d47fcc9c63406807d9f774bdcd1bddff2677c7445951730e4045834a04985911 \ + --hash=sha256:d728fe9221c9d09957653114ebf0fca2180fe3e347a87bf19c1b30672e96175c \ + --hash=sha256:d7a02ac83e4692b8f193606f34be975b2d305fddb18379fb31a089adab0ccb73 \ + --hash=sha256:d7d4d4266f048bd006d8d15406706b90820928f37b006ee0c34706a66a0686cc \ + --hash=sha256:d90e41f4a924474ec9428075208dc75c00360432ec9a103922ee9c7bb6ec2b4b \ + --hash=sha256:daf7cfeb7b50d34d894e7c5ba364952166d026a901ab92811f30318c47d30fd4 \ + --hash=sha256:db4df8cd306d0159edcaa47aae2febd7ce009d0f5a2fcabd3cb821339a0ecd4c \ + --hash=sha256:e030908fea76f4eead2e854a360d7c63661960d9a28f1d697b4b080c40d0b209 \ + --hash=sha256:e5613ce002295d3d744c501e86c181952addb09cd3f799ad3a81a20cbc391405 \ + --hash=sha256:e5e3ff943a0db1c58757d04be0a89eeecea49eab520cd71eefa814bfd3f28ec6 \ + --hash=sha256:e8f7dd9de1fd5c6645f4ea4dc321c4505f87bdca1f4970e8259757be617bd77f \ + --hash=sha256:ecfa775b09bf90128c284d5c0375b045359d221f564a8b48371e81c293b7943b \ + --hash=sha256:ee59784d147d8a8511194f1ce3e529ffee837381eff9e0a7774376bfd735deb5 \ + --hash=sha256:ef72806eaa499881d16b5dd4a3a15fa00f4005d843e6aa174b01132b8ff6cb99 \ + --hash=sha256:f2d3895582b266d1c2d83325cd1ed969fc04fe8cb4a0738bc50a6bea2ec2c354 \ + --hash=sha256:f632054d84a5882f8b9cd28847a047e496ccf9bccf06cceef7446a04a8dc3b8c \ + --hash=sha256:f92a85592443d6ded908d1d9197f8b82a859bb99e5027f01921d085b0b7210fe \ + --hash=sha256:fa4d6b74c518c7a3eb618049c78cfbee3ffa50f99f19734024e2e6789a1a7a99 \ + --hash=sha256:fadff422580bf3374fe167ea9cf87a59de5d9d0601c89c6340822ad2adedf774 + # via pymatgen-core markdown-it-py==4.0.0 \ --hash=sha256:87327c59b172c5011896038353a81343b6754500a08cd7a4973bb48c6d578147 \ --hash=sha256:cb0a2b4aa34f932c007117b194e945bd74e0ec24133ceb5bac59009cda1cb9f3 @@ -1203,63 +1339,54 @@ markupsafe==3.0.3 \ --hash=sha256:f9e130248f4462aaa8e2552d547f36ddadbeaa573879158d721bbd33dfe4743a \ --hash=sha256:fed51ac40f757d41b7c48425901843666a6677e3e8eb0abcff09e4ba6e664f50 # via werkzeug -matplotlib==3.10.8 \ - --hash=sha256:00270d217d6b20d14b584c521f810d60c5c78406dc289859776550df837dcda7 \ - --hash=sha256:0a33deb84c15ede243aead39f77e990469fff93ad1521163305095b77b72ce4a \ - --hash=sha256:113bb52413ea508ce954a02c10ffd0d565f9c3bc7f2eddc27dfe1731e71c7b5f \ - --hash=sha256:12d90df9183093fcd479f4172ac26b322b1248b15729cb57f42f71f24c7e37a3 \ - --hash=sha256:15d30132718972c2c074cd14638c7f4592bd98719e2308bccea40e0538bc0cb5 \ - --hash=sha256:18821ace09c763ec93aef5eeff087ee493a24051936d7b9ebcad9662f66501f9 \ - --hash=sha256:1ae029229a57cd1e8fe542485f27e7ca7b23aa9e8944ddb4985d0bc444f1eca2 \ - --hash=sha256:2299372c19d56bcd35cf05a2738308758d32b9eaed2371898d8f5bd33f084aa3 \ - --hash=sha256:238b7ce5717600615c895050239ec955d91f321c209dd110db988500558e70d6 \ - --hash=sha256:24d50994d8c5816ddc35411e50a86ab05f575e2530c02752e02538122613371f \ - --hash=sha256:25d380fe8b1dc32cf8f0b1b448470a77afb195438bafdf1d858bfb876f3edf7b \ - --hash=sha256:2c1998e92cd5999e295a731bcb2911c75f597d937341f3030cc24ef2733d78a8 \ - --hash=sha256:2cf5bd12cecf46908f286d7838b2abc6c91cda506c0445b8223a7c19a00df008 \ - --hash=sha256:32f8dce744be5569bebe789e46727946041199030db8aeb2954d26013a0eb26b \ - --hash=sha256:37b3c1cc42aa184b3f738cfa18c1c1d72fd496d85467a6cf7b807936d39aa656 \ - --hash=sha256:3a48a78d2786784cc2413e57397981fb45c79e968d99656706018d6e62e57958 \ - --hash=sha256:3ab4aabc72de4ff77b3ec33a6d78a68227bf1123465887f9905ba79184a1cc04 \ - --hash=sha256:3c624e43ed56313651bc18a47f838b60d7b8032ed348911c54906b130b20071b \ - --hash=sha256:3f2e409836d7f5ac2f1c013110a4d50b9f7edc26328c108915f9075d7d7a91b6 \ - --hash=sha256:3f5c3e4da343bba819f0234186b9004faba952cc420fbc522dc4e103c1985908 \ - --hash=sha256:41703cc95688f2516b480f7f339d8851a6035f18e100ee6a32bc0b8536a12a9c \ - --hash=sha256:495672de149445ec1b772ff2c9ede9b769e3cb4f0d0aa7fa730d7f59e2d4e1c1 \ - --hash=sha256:4cf267add95b1c88300d96ca837833d4112756045364f5c734a2276038dae27d \ - --hash=sha256:56271f3dac49a88d7fca5060f004d9d22b865f743a12a23b1e937a0be4818ee1 \ - --hash=sha256:595ba4d8fe983b88f0eec8c26a241e16d6376fe1979086232f481f8f3f67494c \ - --hash=sha256:5f62550b9a30afde8c1c3ae450e5eb547d579dd69b25c2fc7a1c67f934c1717a \ - --hash=sha256:646d95230efb9ca614a7a594d4fcacde0ac61d25e37dd51710b36477594963ce \ - --hash=sha256:64fcc24778ca0404ce0cb7b6b77ae1f4c7231cdd60e6778f999ee05cbd581b9a \ - --hash=sha256:6be43b667360fef5c754dda5d25a32e6307a03c204f3c0fc5468b78fa87b4160 \ - --hash=sha256:6da7c2ce169267d0d066adcf63758f0604aa6c3eebf67458930f9d9b79ad1db1 \ - --hash=sha256:83d282364ea9f3e52363da262ce32a09dfe241e4080dcedda3c0db059d3c1f11 \ - --hash=sha256:9153c3292705be9f9c64498a8872118540c3f4123d1a1c840172edf262c8be4a \ - --hash=sha256:99eefd13c0dc3b3c1b4d561c1169e65fe47aab7b8158754d7c084088e2329466 \ - --hash=sha256:a0a7f52498f72f13d4a25ea70f35f4cb60642b466cbb0a9be951b5bc3f45a486 \ - --hash=sha256:a2b336e2d91a3d7006864e0990c83b216fcdca64b5a6484912902cef87313d78 \ - --hash=sha256:a48f2b74020919552ea25d222d5cc6af9ca3f4eb43a93e14d068457f545c2a17 \ - --hash=sha256:ad3d9833a64cf48cc4300f2b406c3d0f4f4724a91c0bd5640678a6ba7c102077 \ - --hash=sha256:b44d07310e404ba95f8c25aa5536f154c0a8ec473303535949e52eb71d0a1565 \ - --hash=sha256:b53285e65d4fa4c86399979e956235deb900be5baa7fc1218ea67fbfaeaadd6f \ - --hash=sha256:b5a2b97dbdc7d4f353ebf343744f1d1f1cca8aa8bfddb4262fcf4306c3761d50 \ - --hash=sha256:b9a5ca4ac220a0cdd1ba6bcba3608547117d30468fefce49bb26f55c1a3d5c58 \ - --hash=sha256:bab485bcf8b1c7d2060b4fcb6fc368a9e6f4cd754c9c2fea281f4be21df394a2 \ - --hash=sha256:c108a1d6fa78a50646029cb6d49808ff0fc1330fda87fa6f6250c6b5369b6645 \ - --hash=sha256:d56a1efd5bfd61486c8bc968fa18734464556f0fb8e51690f4ac25d85cbbbbc2 \ - --hash=sha256:d9050fee89a89ed57b4fb2c1bfac9a3d0c57a0d55aed95949eedbc42070fea39 \ - --hash=sha256:dd80ecb295460a5d9d260df63c43f4afbdd832d725a531f008dad1664f458adf \ - --hash=sha256:e8ea3e2d4066083e264e75c829078f9e149fa119d27e19acd503de65e0b13149 \ - --hash=sha256:eb3823f11823deade26ce3b9f40dcb4a213da7a670013929f31d5f5ed1055b22 \ - --hash=sha256:ee40c27c795bda6a5292e9cff9890189d32f7e3a0bf04e0e3c9430c4a00c37df \ - --hash=sha256:efb30e3baaea72ce5928e32bab719ab4770099079d66726a62b11b1ef7273be4 \ - --hash=sha256:f254d118d14a7f99d616271d6c3c27922c092dac11112670b157798b89bf4933 \ - --hash=sha256:f89c151aab2e2e23cb3fe0acad1e8b82841fd265379c4cecd0f3fcb34c15e0f6 \ - --hash=sha256:f97aeb209c3d2511443f8797e3e5a569aebb040d4f8bc79aa3ee78a8fb9e3dd8 \ - --hash=sha256:f9b587c9c7274c1613a30afabf65a272114cd6cdbe67b3406f818c79d7ab2e2a \ - --hash=sha256:fb061f596dad3a0f52b60dc6a5dec4a0c300dec41e058a7efe09256188d170b7 - # via pymatgen +matplotlib==3.11.1 \ + --hash=sha256:0c1f44890d435c1b4ef52f701ad5828cb450ea97bcc83918fda6be74965d6cd2 \ + --hash=sha256:11664c551345553db92e61cae6cf1376f138f8c47cafdf13b64b18f3e3e9e464 \ + --hash=sha256:1524e2bdd48a93557aa47ddcfe9c225dfdd57d5a01a5c49128c20f0632980ee1 \ + --hash=sha256:191163532cdefcb1571ca38a6d7e6474baccde64495783e6ba47aa07ec4b9bbb \ + --hash=sha256:1ac697e591c11b6ad04679a73c2d2f9980fe9d9f0311fb414a2e329706343dfb \ + --hash=sha256:216fbb93a74add02ddb4cb38ef5348f59ac00b3e84567eaf16598772d40e150a \ + --hash=sha256:21a67b961a6d597bca54fae826cd20695ba4a6e4d05424a08da6e13e3176fd6b \ + --hash=sha256:2abdee5ffa2fe11b2d19f7a5c63b785fb7c28cc46c7bc1814156341d9d1a33e1 \ + --hash=sha256:30c492d4ba9448595b6fd8708c6725963f8148e25c0d8842948da5b05f0ee8d3 \ + --hash=sha256:3d3fd84082b1afbd9398466c81309e20045be20d48fe0fb18c43504d164cbbb2 \ + --hash=sha256:427258425f9a3fc4ed79a91f9e9b9aaf5a82cb6571e85dc14063cc6fbb993741 \ + --hash=sha256:480194afceca4df2f137c2721227d3cba67121fbf4397b69cee7f83714b0a58a \ + --hash=sha256:54d47b8ae8b579633a3902ca5b4ad6c1e132a5626d64447b2e22a66394e79987 \ + --hash=sha256:5af0dcda57d471440a7b5b623e70e0a61003518443d9098f211a96ecfbbc25be \ + --hash=sha256:5e1f8922ba31959cf6a9dfb51be64b7f7bc582801a3957dc0c2f3afcd3537adf \ + --hash=sha256:5e510088c27a89d53580a752f959146893563e63c330e161d159b0fee652af6f \ + --hash=sha256:6771b0cd7838c6a857a7209814158c0ad09bfef878db3033dd82d70ad101f191 \ + --hash=sha256:67e4c3cd578c65ebd81bdc09a1b6592ceafee6dfafe116dc85dfcb647b5bbb18 \ + --hash=sha256:68408341f2312836fbbdf6b3c78047f65b2d8752f5fd221c3e72d348f5b34f8b \ + --hash=sha256:69647db5746941c793d6e445a4cd349323ffb87d9cc958c2ad84a659b4832d30 \ + --hash=sha256:6be943cb68bc6660ead58c55b3aa6366cba2ef7feb06460fbcce32360376f19f \ + --hash=sha256:7389b77ed2ab0552f46d9a90b81b7b8e6dfcdc42adc36c37a0865799843e0e3e \ + --hash=sha256:7f33a781e12b1e53b278deb2f5373c2e55ec4f10727be3440c0cfb5cda9f944f \ + --hash=sha256:83235693abde86e5e0129998f80ee39fc7f58e6d56a88fafb28a9278833e9d5f \ + --hash=sha256:88a2a27dd9691ae448dfae4b26f59036be90c3c28757edd3553a29559d00859f \ + --hash=sha256:89b193b255f4f6f7948dbcee3691f4f341ab05d9a8874a67b45ddb4182922eda \ + --hash=sha256:8b14eb22961fe865efb0e4ff167e333e428908b00115a8d800ccb65ee108e481 \ + --hash=sha256:9601a1e90be21e4884c53b4f3dc3ee0544654946f9975258d691f1c2e2f119c6 \ + --hash=sha256:96f4bdeea33a8d15a071dbfe6d119451b1d719c733ac666d65357082901a9099 \ + --hash=sha256:9a076f4fc5cdc43fdf510f5981418d25c2db4973418d9f22d8bb3dc8045ada78 \ + --hash=sha256:9fdf1c818ab05d0e74002091ddaf414478a3a449ec9d51c8976d45be7e3a01e2 \ + --hash=sha256:ac104be2768ffdd8655db9e71b768cbb45f2b9aa7b450cf1595e8f65d3822319 \ + --hash=sha256:ae30c6109848ac0f9fa36c5d6270938487614c47ba31860bd5361266dabc5685 \ + --hash=sha256:aee55e9041211bf84302ab55ec3965df18dd90ae19f8b58332a7feaf208bfe83 \ + --hash=sha256:b0a19dcf73406d3746d25a5ed42d713604c9a3e024d129b102852b0d941cb9f3 \ + --hash=sha256:b4c78ceb2f11bcac7389d305cda17aeb1f4586a857854ab5780bd3dd8dbfc407 \ + --hash=sha256:b7cf158e7add54a8d51ac9b5a84abd6d4e13ed4951b4f25f1c5139f41c2addb2 \ + --hash=sha256:b937b9dba5f5f6c1e31c47abe2186c865c0914fd18f2ce0dfc39c9adcef5951d \ + --hash=sha256:ba8f811b8ddfac493734d6af0b2dff96919d0c28ca0d641858dab4262777c6ea \ + --hash=sha256:c52f7ad20ef476806ed212380b1d54d20310c8b86bdc2c9a68b51f0024a44472 \ + --hash=sha256:c90be0b73568da4f662afac580956a76e308437e641b4a45aa08925eeb67d95f \ + --hash=sha256:d2ace7273b9a5061a3b420918a16fae1f2dc5dfee1abcc13aba71b5d94b1820c \ + --hash=sha256:dadfe80797174e2984aae3be0b77594a3c72d2c0a40fbd4a0de48d2728caf3ae \ + --hash=sha256:e15ef41507f3d525f46154ac9e3ae785dacde9f20e593a25de8986267892ef74 \ + --hash=sha256:e4b9ac2f1f607ecda2af90a5232beee2af7582fce1cc30c4b6a1b012dc21ee99 \ + --hash=sha256:f2912f647f3fbe1ccf085f91e213936f9101bead81a5e670565b1f1b3712f4fb + # via pymatgen-core mdurl==0.1.2 \ --hash=sha256:84008a41e51615a49fc9966191ff91509e3c40b939176e643fd50a5c2196b8f8 \ --hash=sha256:bb413d29f5eea38f31dd4754dd7377d4465116fb207585f97bf925588687c1ba @@ -1312,10 +1439,10 @@ ml-dtypes==0.5.4 \ # jax # jaxlib # tensorstore -monty==2025.3.3 \ - --hash=sha256:16c1eb54b2372e765c2f3f14cff01cc76ab55c3cc12b27d49962fb8072310ae0 \ - --hash=sha256:5eadb6d748c007bc63c34eceb2d80faff18f3996121d261dbceeea22adc58775 - # via pymatgen +monty==2026.7.16 \ + --hash=sha256:2c51224b6715794cfbbb8202b9749077fad8e67b238b0ab6f2abb9bde33c2f86 \ + --hash=sha256:fadd48f18135128a6042d7efe80e301d5658178d441cb1e80a7d6624bd8e114d + # via pymatgen-core more-itertools==10.8.0 \ --hash=sha256:52d4362373dcf7c52546bc4af9a86ee7c4579df9a8dc268be0a2f949d376cc9b \ --hash=sha256:f638ddf8a1a0d134181275fb5d58b086ead7c6a72429ad725c67503f13ba30bd @@ -1542,9 +1669,9 @@ multidict==6.7.0 \ # via # aiohttp # yarl -narwhals==2.14.0 \ - --hash=sha256:98be155c3599db4d5c211e565c3190c398c87e7bf5b3cdb157dece67641946e0 \ - --hash=sha256:b56796c9a00179bd757d15282c540024e1d5c910b19b8c9944d836566c030acf +narwhals==2.24.0 \ + --hash=sha256:42fdedf44e5b2ca7505630d45b4ac3058f38d8485cba9fe1652ca23152df7489 \ + --hash=sha256:b5c0f684ccd9d7475b564111e319a4964abcf2baf79d3cf6b1003d06ac9b828d # via plotly nest-asyncio==1.6.0 \ --hash=sha256:6f172d5449aca15afd6c646851f4e31e02c598d553a667e38cafa997cfec55fe \ @@ -1553,7 +1680,7 @@ nest-asyncio==1.6.0 \ networkx==3.6.1 \ --hash=sha256:26b7c357accc0c8cde558ad486283728b65b6a95d85ee1cd66bafab4c8168509 \ --hash=sha256:d47fbf302e7d9cbbb9e2555a0d267983d2aa476bac30e90dfbe5669bd57f3762 - # via pymatgen + # via pymatgen-core neuralgcm==1.2.2 \ --hash=sha256:24edbbb5d21e2d17a7475738f84602885eb011af3a23c33df293b2c5d10ac11c \ --hash=sha256:795297260a5aff05708e855fe8cb27db7cc0f514e9c34e373e4ba378732327e5 @@ -1665,6 +1792,7 @@ numpy==2.4.0 \ # jax # jax-md # jaxlib + # jaxpi # jmp # jraph # matplotlib @@ -1675,7 +1803,7 @@ numpy==2.4.0 \ # optax # orbax-checkpoint # pandas - # pymatgen + # pymatgen-core # scikit-learn # scipy # spglib @@ -1684,14 +1812,19 @@ numpy==2.4.0 \ # xarray # xarray-tensorstore # zarr -nvidia-cublas-cu12==12.9.1.4 \ - --hash=sha256:1e5fee10662e6e52bd71dec533fbbd4971bb70a5f24f3bc3793e5c2e9dc640bf \ - --hash=sha256:453611eb21a7c1f2c2156ed9f3a45b691deda0440ec550860290dc901af5b4c2 \ - --hash=sha256:7a950dae01add3b415a5a5cdc4ec818fb5858263e9cca59004bb99fdbbd3a5d6 +nvidia-cublas-cu12==12.9.2.10 \ + --hash=sha256:5572131a59c3eebeeb1c4c8144f772d49372c20124916e072a0e3fc30df421d5 \ + --hash=sha256:623f43027d40d44ceadf0043f002bd25cf353e8f13ce90b9a87057019f560661 \ + --hash=sha256:e4f53a8ca8c5d6e8c492d0d0a3d565ecb59a751b19cfdaa4f6da0ab2104c1702 # via # jax-cuda12-plugin # nvidia-cudnn-cu12 # nvidia-cusolver-cu12 +nvidia-cuda-cccl-cu12==12.9.27 \ + --hash=sha256:37869e17ce2e1ecec6eddf1927cca0f8c34e64fd848d40453df559091e2d7117 \ + --hash=sha256:72106f95a9bb3be18472806b4f663ebf0f9248a86d14b4ae3305725b855d9d92 \ + --hash=sha256:d7898b38aa68beaa234d48f0868273702342a196d6e2e9d0ef058dca2390ebea + # via nvidia-nvshmem-cu12 nvidia-cuda-cupti-cu12==12.9.79 \ --hash=sha256:096bcf334f13e1984ba36685ad4c1d6347db214de03dbb6eebb237b41d9d934f \ --hash=sha256:1848a9380067560d5bee10ed240eecc22991713e672c0515f9c3d9396adf93c8 \ @@ -1706,16 +1839,18 @@ nvidia-cuda-nvrtc-cu12==12.9.86 \ --hash=sha256:096d4de6bda726415dfaf3198d4f5c522b8e70139c97feef5cd2ca6d4cd9cead \ --hash=sha256:210cf05005a447e29214e9ce50851e83fc5f4358df8b453155d5e1918094dcb4 \ --hash=sha256:72972ebdcf504d69462d3bcd67e7b81edd25d0fb85a2c46d3ea3517666636349 - # via jax-cuda12-plugin + # via + # jax-cuda12-plugin + # nvidia-cublas-cu12 nvidia-cuda-runtime-cu12==12.9.79 \ --hash=sha256:25bba2dfb01d48a9b59ca474a1ac43c6ebf7011f1b0b8cc44f54eb6ac48a96c3 \ --hash=sha256:83469a846206f2a733db0c42e223589ab62fd2fabac4432d2f8802de4bded0a4 \ --hash=sha256:8e018af8fa02363876860388bd10ccb89eb9ab8fb0aa749aaf58430a9f7c4891 # via jax-cuda12-plugin -nvidia-cudnn-cu12==9.17.1.4 \ - --hash=sha256:0760c843fb109631edf5bd4234f2a260a13a05c18ee2a20783fbb4eb04d56645 \ - --hash=sha256:b5083ced291edb2baf8eab09951c6bc58b79b2023c4ec885657a63acdf51d0bd \ - --hash=sha256:d18d61bdd596fca0dbe459c129f6eb7a24ed2e6de1d7988b0a37ac63184ee05d +nvidia-cudnn-cu12==9.25.0.15 \ + --hash=sha256:2e0565abac50f80f23c303ce4bf6e4c97b6ed99efc3708ffb693b2db3859d00f \ + --hash=sha256:4ea1ba443fa28ac6cf04b7a44a107dfd54cf355c2324938102ddb21778ab10ce \ + --hash=sha256:7987acb3cc5b793151e64c05a12a3625f5a8d4cfabe87eea3a65f0676ef2da67 # via jax-cuda12-plugin nvidia-cufft-cu12==11.4.1.4 \ --hash=sha256:1a28c9b12260a1aa7a8fd12f5ebd82d027963d635ba82ff39a1acfa7c4c0fbcf \ @@ -1734,9 +1869,9 @@ nvidia-cusparse-cu12==12.5.10.65 \ # via # jax-cuda12-plugin # nvidia-cusolver-cu12 -nvidia-nccl-cu12==2.28.9 \ - --hash=sha256:485776daa8447da5da39681af455aa3b2c2586ddcf4af8772495e7c532c7e5ab \ - --hash=sha256:50a36e01c4a090b9f9c47d92cec54964de6b9fcb3362d0e19b8ffc6323c21b60 +nvidia-nccl-cu12==2.30.7 \ + --hash=sha256:03ecd776fd1d58fd2c9a0a687dcf8db9ecd0057382dba646fa3d65786d4a9ea1 \ + --hash=sha256:8ce1b8213f61f2bfac132e6df890af6450b77cbd140c6ce4e98cb0c2d8e678c9 # via jax-cuda12-plugin nvidia-nvjitlink-cu12==12.9.86 \ --hash=sha256:994a05ef08ef4b0b299829cde613a424382aff7efb08a7172c1fa616cc3af2ca \ @@ -1747,9 +1882,9 @@ nvidia-nvjitlink-cu12==12.9.86 \ # nvidia-cufft-cu12 # nvidia-cusolver-cu12 # nvidia-cusparse-cu12 -nvidia-nvshmem-cu12==3.4.5 \ - --hash=sha256:042f2500f24c021db8a06c5eec2539027d57460e1c1a762055a6554f72c369bd \ - --hash=sha256:0b48363fc6964dede448029434c6abed6c5e37f823cb43c3bcde7ecfc0457e15 +nvidia-nvshmem-cu12==3.7.2 \ + --hash=sha256:02b6d3482d90ea8ba214bc400362297f573257763990a98c9846ec5c786a7227 \ + --hash=sha256:98495de30994f1401a12cc8158ffacbeada44579f54185d75665381468056faa # via jax-cuda12-plugin oauthlib==3.3.1 \ --hash=sha256:0f0f8aa759826a193cf66c12ea1af1637f87b9b4622d46e866952bb022e538c9 \ @@ -1765,100 +1900,88 @@ optax==0.2.6 \ # via # flax # jax-md + # jaxpi # neuralgcm orbax-checkpoint==0.11.31 \ --hash=sha256:b00e39cd61cbd6c7c78b091ccac0ed1bbf3cf7788e761618e7070761195bfcc0 \ --hash=sha256:f021193a619782655798bc4a285f40612f6fe647ddeb303d1f49cdbc5645e319 # via flax -orjson==3.11.5 \ - --hash=sha256:0522003e9f7fba91982e83a97fec0708f5a714c96c4209db7104e6b9d132f111 \ - --hash=sha256:073aab025294c2f6fc0807201c76fdaed86f8fc4be52c440fb78fbb759a1ac09 \ - --hash=sha256:09b94b947ac08586af635ef922d69dc9bc63321527a3a04647f4986a73f4bd30 \ - --hash=sha256:1b280e2d2d284a6713b0cfec7b08918ebe57df23e3f76b27586197afca3cb1e9 \ - --hash=sha256:1b6bd351202b2cd987f35a13b5e16471cf4d952b42a73c391cc537974c43ef6d \ - --hash=sha256:1cbf2735722623fcdee8e712cbaaab9e372bbcb0c7924ad711b261c2eccf4a5c \ - --hash=sha256:1db2088b490761976c1b2e956d5d4e6409f3732e9d79cfa69f876c5248d1baf9 \ - --hash=sha256:23d04c4543e78f724c4dfe656b3791b5f98e4c9253e13b2636f1af5d90e4a880 \ - --hash=sha256:298d2451f375e5f17b897794bcc3e7b821c0f32b4788b9bcae47ada24d7f3cf7 \ - --hash=sha256:2b91126e7b470ff2e75746f6f6ee32b9ab67b7a93c8ba1d15d3a0caaf16ec875 \ - --hash=sha256:2cc79aaad1dfabe1bd2d50ee09814a1253164b3da4c00a78c458d82d04b3bdef \ - --hash=sha256:334e5b4bff9ad101237c2d799d9fd45737752929753bf4faf4b207335a416b7d \ - --hash=sha256:38b22f476c351f9a1c43e5b07d8b5a02eb24a6ab8e75f700f7d479d4568346a5 \ - --hash=sha256:3b01799262081a4c47c035dd77c1301d40f568f77cc7ec1bb7db5d63b0a01629 \ - --hash=sha256:3c8d8a112b274fae8c5f0f01954cb0480137072c271f3f4958127b010dfefaec \ - --hash=sha256:3fd15f9fc8c203aeceff4fda211157fad114dde66e92e24097b3647a08f4ee9e \ - --hash=sha256:42e8961196af655bb5e63ce6c60d25e8798cd4dfbc04f4203457fa3869322c2e \ - --hash=sha256:4bdd8d164a871c4ec773f9de0f6fe8769c2d6727879c37a9666ba4183b7f8228 \ - --hash=sha256:4dad582bc93cef8f26513e12771e76385a7e6187fd713157e971c784112aad56 \ - --hash=sha256:53deb5addae9c22bbe3739298f5f2196afa881ea75944e7720681c7080909a81 \ - --hash=sha256:54aae9b654554c3b4edd61896b978568c6daa16af96fa4681c9b5babd469f863 \ - --hash=sha256:59ac72ea775c88b163ba8d21b0177628bd015c5dd060647bbab6e22da3aad287 \ - --hash=sha256:5f0a2ae6f09ac7bd47d2d5a5305c1d9ed08ac057cda55bb0a49fa506f0d2da00 \ - --hash=sha256:5f691263425d3177977c8d1dd896cde7b98d93cbf390b2544a090675e83a6a0a \ - --hash=sha256:61026196a1c4b968e1b1e540563e277843082e9e97d78afa03eb89315af531f1 \ - --hash=sha256:61de247948108484779f57a9f406e4c84d636fa5a59e411e6352484985e8a7c3 \ - --hash=sha256:667c132f1f3651c14522a119e4dd631fad98761fa960c55e8e7430bb2a1ba4ac \ - --hash=sha256:67394d3becd50b954c4ecd24ac90b5051ee7c903d167459f93e77fc6f5b4c968 \ - --hash=sha256:69a0f6ac618c98c74b7fbc8c0172ba86f9e01dbf9f62aa0b1776c2231a7bffe5 \ - --hash=sha256:6af8680328c69e15324b5af3ae38abbfcf9cbec37b5346ebfd52339c3d7e8a18 \ - --hash=sha256:7339f41c244d0eea251637727f016b3d20050636695bc78345cce9029b189401 \ - --hash=sha256:7403851e430a478440ecc1258bcbacbfbd8175f9ac1e39031a7121dd0de05ff8 \ - --hash=sha256:75412ca06e20904c19170f8a24486c4e6c7887dea591ba18a1ab572f1300ee9f \ - --hash=sha256:75bc2e59e6a2ac1dd28901d07115abdebc4563b5b07dd612bf64260a201b1c7f \ - --hash=sha256:7bb2ce0b82bc9fd1168a513ddae7a857994b780b2945a8c51db4ab1c4b751ebc \ - --hash=sha256:7cce16ae2f5fb2c53c3eafdd1706cb7b6530a67cc1c17abe8ec747f5cd7c0c51 \ - --hash=sha256:801a821e8e6099b8c459ac7540b3c32dba6013437c57fdcaec205b169754f38c \ - --hash=sha256:82393ab47b4fe44ffd0a7659fa9cfaacc717eb617c93cde83795f14af5c2e9d5 \ - --hash=sha256:82cd00d49d6063d2b8791da5d4f9d20539c5951f965e45ccf4e96d33505ce68f \ - --hash=sha256:835f26fa24ba0bb8c53ae2a9328d1706135b74ec653ed933869b74b6909e63fd \ - --hash=sha256:86cfc555bfd5794d24c6a1903e558b50644e5e68e6471d66502ce5cb5fdef3f9 \ - --hash=sha256:894aea2e63d4f24a7f04a1908307c738d0dce992e9249e744b8f4e8dd9197f39 \ - --hash=sha256:8be318da8413cdbbce77b8c5fac8d13f6eb0f0db41b30bb598631412619572e8 \ - --hash=sha256:8d5f16195bb671a5dd3d1dbea758918bada8f6cc27de72bd64adfbd748770814 \ - --hash=sha256:9172578c4eb09dbfcf1657d43198de59b6cef4054de385365060ed50c458ac98 \ - --hash=sha256:92a8d676748fca47ade5bc3da7430ed7767afe51b2f8100e3cd65e151c0eaceb \ - --hash=sha256:9645ef655735a74da4990c24ffbd6894828fbfa117bc97c1edd98c282ecb52e1 \ - --hash=sha256:9c8494625ad60a923af6b2b0bd74107146efe9b55099e20d7740d995f338fcd8 \ - --hash=sha256:9cc1e55c884921434a84a0c3dd2699eb9f92e7b441d7f53f3941079ec6ce7499 \ - --hash=sha256:9df95000fbe6777bf9820ae82ab7578e8662051bb5f83d71a28992f539d2cda7 \ - --hash=sha256:a230065027bc2a025e944f9d4714976a81e7ecfa940923283bca7bbc1f10f626 \ - --hash=sha256:a261fef929bcf98a60713bf5e95ad067cea16ae345d9a35034e73c3990e927d2 \ - --hash=sha256:a4f3cb2d874e03bc7767c8f88adaa1a9a05cecea3712649c3b58589ec7317310 \ - --hash=sha256:a66d7769e98a08a12a139049aac2f0ca3adae989817f8c43337455fbc7669b85 \ - --hash=sha256:a86fe4ff4ea523eac8f4b57fdac319faf037d3c1be12405e6a7e86b3fbc4756a \ - --hash=sha256:aa0f513be38b40234c77975e68805506cad5d57b3dfd8fe3baa7f4f4051e15b4 \ - --hash=sha256:aa5e4244063db8e1d87e0f54c3f7522f14b2dc937e65d5241ef0076a096409fd \ - --hash=sha256:acbc5fac7e06777555b0722b8ad5f574739e99ffe99467ed63da98f97f9ca0fe \ - --hash=sha256:b29d36b60e606df01959c4b982729c8845c69d1963f88686608be9ced96dbfaa \ - --hash=sha256:b42ffbed9128e547a1647a3e50bc88ab28ae9daa61713962e0d3dd35e820c125 \ - --hash=sha256:b923c1c13fa02084eb38c9c065afd860a5cff58026813319a06949c3af5732ac \ - --hash=sha256:b9f86d69ae822cabc2a0f6c099b43e8733dda788405cba2665595b7e8dd8d167 \ - --hash=sha256:bb150d529637d541e6af06bbe3d02f5498d628b7f98267ff87647584293ab439 \ - --hash=sha256:c028a394c766693c5c9909dec76b24f37e6a1b91999e8d0c0d5feecbe93c3e05 \ - --hash=sha256:c0d87bd1896faac0d10b4f849016db81a63e4ec5df38757ffae84d45ab38aa71 \ - --hash=sha256:c0e5d9f7a0227df2927d343a6e3859bebf9208b427c79bd31949abcc2fa32fa5 \ - --hash=sha256:c2021afda46c1ed64d74b555065dbd4c2558d510d8cec5ea6a53001b3e5e82a9 \ - --hash=sha256:c2ed66358f32c24e10ceea518e16eb3549e34f33a9d51f99ce23b0251776a1ef \ - --hash=sha256:c404603df4865f8e0afe981aa3c4b62b406e6d06049564d58934860b62b7f91d \ - --hash=sha256:c74099c6b230d4261fdc3169d50efc09abf38ace1a42ea2f9994b1d79153d477 \ - --hash=sha256:ccc70da619744467d8f1f49a8cadae5ec7bbe054e5232d95f92ed8737f8c5870 \ - --hash=sha256:d4be86b58e9ea262617b8ca6251a2f0d63cc132a6da4b5fcc8e0a4128782c829 \ - --hash=sha256:d7345c759276b798ccd6d77a87136029e71e66a8bbf2d2755cbdde1d82e78706 \ - --hash=sha256:ddbfdb5099b3e6ba6d6ea818f61997bb66de14b411357d24c4612cf1ebad08ca \ - --hash=sha256:ddc21521598dbe369d83d4d40338e23d4101dad21dae0e79fa20465dbace019f \ - --hash=sha256:df9eadb2a6386d5ea2bfd81309c505e125cfc9ba2b1b99a97e60985b0b3665d1 \ - --hash=sha256:e08ca8a6c851e95aaecc32bc44a5aa75d0ad26af8cdac7c77e4ed93acf3d5b69 \ - --hash=sha256:e446a8ea0a4c366ceafc7d97067bfd55292969143b57e3c846d87fc701e797a0 \ - --hash=sha256:e46c762d9f0e1cfb4ccc8515de7f349abbc95b59cb5a2bd68df5973fdef913f8 \ - --hash=sha256:e607b49b1a106ee2086633167033afbd63f76f2999e9236f638b06b112b24ea7 \ - --hash=sha256:e697d06ad57dd0c7a737771d470eedc18e68dfdefcdd3b7de7f33dfda5b6212e \ - --hash=sha256:e8b5f96c05fce7d0218df3fdfeb962d6b8cfff7e3e20264306b46dd8b217c0f3 \ - --hash=sha256:ed24250e55efbcb0b35bed7caaec8cedf858ab2f9f2201f17b8938c618c8ca6f \ - --hash=sha256:fa1863e75b92891f553b7922ce4ee10ed06db061e104f2b7815de80cdcb135ad \ - --hash=sha256:fea7339bdd22e6f1060c55ac31b6a755d86a5b2ad3657f2669ec243f8e3b2bdb \ - --hash=sha256:ff770589960a86eae279f5d8aa536196ebda8273a2a07db2a54e82b93bc86626 \ - --hash=sha256:ff7877d376add4e16b274e35a3f58b7f37b362abf4aa31863dadacdd20e3a583 - # via pymatgen +orjson==3.11.9 \ + --hash=sha256:011382e2a60fda9d46f1cdee31068cfc52ffe952b587d683ec0463002802a0f4 \ + --hash=sha256:03db380e3780fa0015ed776a90f20e8e20bb11dde13b216ce19e5718e3dfba62 \ + --hash=sha256:051b102c93b4f634e89f3866b07b9a9a98915ada541f4ec30f177067b2694979 \ + --hash=sha256:08f4d8ebb44925c794e535b2bebc507cebf32209df81de22ae285fb0d8d66de0 \ + --hash=sha256:0b34789fa0da61cf7bef0546b09c738fb195331e017e477096d129e9105ab03d \ + --hash=sha256:0e4eed3b200023042814d2fc8a5d2e880f13b52e1ed2485e83da4f3962f7dc1a \ + --hash=sha256:115ab5f5f4a0f203cc2a5f0fb09aee503a3f771aa08392949ab5ca230c4fbdbd \ + --hash=sha256:135869ef917b8704ea0a94e01620e0c05021c15c52036e4663baffe75e72f8ce \ + --hash=sha256:147302878da387104b66bb4a8b0227d1d487e976ce41a8501916161072ed87b1 \ + --hash=sha256:14ed654580c1ed2bc217352ec82f91b047aef82951aa71c7f64e0dcb03c0e180 \ + --hash=sha256:16969c9d369c98eb084889c6e4d2d39b77c7eb38ceccf8da2a9fff62ae908980 \ + --hash=sha256:19b72ed11572a2ee51a67a903afbe5af504f84ed6f529c0fe44b0ab3fb5cc697 \ + --hash=sha256:231742b4a11dad8d5380a435962c57e91b7c37b79be858f4ef1c0df1a259897e \ + --hash=sha256:25e4aed0312d292c09f61af25bba34e0b2c88546041472b09088c39a4d828af1 \ + --hash=sha256:26a473dbb4162108b27901492546f83c76fdcea3d0eadff00ae7a07e18dcce09 \ + --hash=sha256:277fefe9d76ee17eb14debf399e3533d4d63b5f677a4d3719eb763536af1f4bd \ + --hash=sha256:2d057a602cdd19a0ad680417527c45b6961a095081c0f46fe0e03e304aac6470 \ + --hash=sha256:32ef5f4283a3be81913947d19608eacb7c6608026851123790cd9cc8982af34b \ + --hash=sha256:33d7d766701847dc6729846362dc27895d2f2d2251264f9d10e7cb9878194877 \ + --hash=sha256:34fd2317602587321faab75ab76c623a0117e80841a6413654f04e47f339a8fb \ + --hash=sha256:3513550321f8c8c811a7c3297b8a630e82dc08e4c10216d07703c997776236cd \ + --hash=sha256:380cdce7ba24989af81d0a7013d0aaec5d0e2a21734c0e2681b1bc4f141957fe \ + --hash=sha256:3a81d52442a7c99b3662333235b3adf96a1715864658b35bb797212be7bddb97 \ + --hash=sha256:3ebca4179031ee716ed076ffadc29428e900512f6fccee8614c9983157fcf19c \ + --hash=sha256:48ee05097750de0ff69ed5b7bbcf0732182fd57a24043dcc2a1da780a5ead3a5 \ + --hash=sha256:4bab1b2d6141fe7b32ae71dac905666ece4f94936efbfb13d55bb7739a3a6021 \ + --hash=sha256:4d4e98d6f3b8afed8bc8cd9718ec0cdf46661826beefb53fe8eafb37f2bf0362 \ + --hash=sha256:4d7fde5501b944f83b3e665e1b31343ff6e154b15560a16b7130ea1e594a4206 \ + --hash=sha256:4da3c38a2083ca4aaf9c2a36776cce3e9328e6647b10d118948f3cfb4913ffe4 \ + --hash=sha256:4e39364e726a8fff737309aff059ff67d8a8c8d5b677be7bb49a8b3e84b7e218 \ + --hash=sha256:4fd66214623f1b17501df9f0543bef0b833979ab5b6ded1e1d123222866aa8c9 \ + --hash=sha256:4fef17e1f8722c11587a6ef18e35902450221da0028e65dbaaa543619e68e48f \ + --hash=sha256:53b50b0e14084b8f7e29c5ce84c5af0f1160169b30d8a6914231d97d2fe297d4 \ + --hash=sha256:57ea77fb70a448ce87d18fca050193202a3da5e54598f6501ca5476fb66cfe02 \ + --hash=sha256:59e403b1cc5a676da8eaf31f6254801b7341b3e29efa85f92b48d272637e77be \ + --hash=sha256:5b192c6cf397e4455b11523c5cf2b18ed084c1bbd61b6c0926344d2129481972 \ + --hash=sha256:5f63aaf97afd9f6dec5b1a68e1b8da12bfccb4cb9a9a65c3e0b6c847849e7586 \ + --hash=sha256:63e0efbc991250c0b3143488fa57d95affcabbfc63c99c48d625dd37779aafe2 \ + --hash=sha256:6cc7923789694fd58f001cbcac7e47abc13af4d560ebbfcf3b41a8b1a0748124 \ + --hash=sha256:71e63adb0e1f1ed5d9e168f50a91ceb93ae6420731d222dc7da5c69409aa47aa \ + --hash=sha256:71f3db16e69b667b132e0f305a833d5497da302d801508cbb051ed9a9819da47 \ + --hash=sha256:844417969855fc7a41be124aafe83dc424592a7f77cd4501900c67307122b92c \ + --hash=sha256:8697ab6a080a5c46edaad50e2bc5bd8c7ca5c66442d24104fa44ec74910a8244 \ + --hash=sha256:87e4d4ab280b0c87424d47695bec2182caf8cfc17879ea78dab76680194abc13 \ + --hash=sha256:8aff7da9952a5ad1cef8e68017724d96c7b9a66e99e91d6252e1b133d67a7b10 \ + --hash=sha256:8ecc30f10465fa1e0ce13fd01d9e22c316e5053a719a8d915d4545a09a5ff677 \ + --hash=sha256:97d0d932803c1b164fde11cb542a9efcb1e0f63b184537cca65887147906ff48 \ + --hash=sha256:97db4c94a7db398a5bd636273324f0b3fd58b350bbbac8bb380ceb825a9b40f4 \ + --hash=sha256:9af678d6488357948f1f84c6cd1c1d397c014e1ae2f98ae082a44eb48f602624 \ + --hash=sha256:9ef6fe90aadef185c7b128859f40beb24720b4ecea95379fc9000931179c3a49 \ + --hash=sha256:9f78cf8fec5bd627f4082b8dfeac7871b43d7f3274904492a43dab39f18a19a0 \ + --hash=sha256:a028425d1b440c5d92a6be1e1a020739dfe67ea87d96c6dbe828c1b30041728b \ + --hash=sha256:a6082706765a95a6680d812e1daf1c0cfe8adec7831b3ff3b625693f3b461b1c \ + --hash=sha256:a8f5f8bc7ce7d59f08d9f99fa510c06496164a24cb5f3d34537dbd9ca30132e2 \ + --hash=sha256:aaea64f3f467d22e70eeed68bdccb3bc4f83f650446c4a03c59f2cba28a108db \ + --hash=sha256:ace6c58523302d3b97b6ac5c38a5298a54b473762b6be82726b4265c41029f92 \ + --hash=sha256:b3afcf569c15577a9fe64627292daa3e6b3a70f4fb77a5df246a87ec21681b94 \ + --hash=sha256:b6ef1979adc4bc243523f1a2ba91418030a8e29b0a99cbe7e0e2d6807d4dce6e \ + --hash=sha256:be4fa4f0af7fa18951f7ab3fc2148e223af211bf03f59e1c6034ec3f97f21d61 \ + --hash=sha256:c2d3dc759490128c5c1711a53eeaa8ee1d437fd0038ffd2b6008abf46db3f882 \ + --hash=sha256:c5d001196b89fa9cf0a4ab79766cd835b991a166e4b621ba95089edc50c429ff \ + --hash=sha256:cce9127885941bd28f080cecf1f1d288336b7e0d812c345b08be88b572796254 \ + --hash=sha256:cde1a448023ba7d5bb4c01c5afb48894380b5e4956e0627266526587ef4e535f \ + --hash=sha256:d4087e5c0209a0a8efe4de3303c234b9c44d1174161dcd851e8eea07c7560b32 \ + --hash=sha256:d8ea516b3726d190e1b4297e6f4e7a8650347ae053868a18163b4dd3641d1fff \ + --hash=sha256:e30ab17845bb9fa54ccf67fa4f9f5282652d54faa6d17452f47d0f369d038673 \ + --hash=sha256:e5c9b8f28e726e97d97696c826bc7bea5d71cecd63576dba92924a32c1961291 \ + --hash=sha256:ea407d4ccf5891d667d045fecae97a7a1e5e87b3b97f97ae1803c2e741130be0 \ + --hash=sha256:ea5c46eb2d3af39e806b986f4b09d5c2706a1f5afde3cbf7544ce6616127173c \ + --hash=sha256:eebdbdeef0094e4f5aefa20dcd4eb2368ab5e7a3b4edea27f1e7b2892e009cf9 \ + --hash=sha256:f01c4818b3fc9b0da8e096722a84318071eaa118df35f6ed2344da0e73a5444f \ + --hash=sha256:f36b7f32c7c0db4a719f1fc5824db4a9c6f8bd1a354debb91faf26ebf3a4c71e \ + --hash=sha256:f5d89a2ed90731df3be64bab0aa44f78bff39fdc9d71c291f4a8023aa46425b7 \ + --hash=sha256:ffe02797b5e9f3a9d8292ddcd289b474ad13e81ad83cd1891a240811f1d2cb81 + # via pymatgen-core packaging==25.0 \ --hash=sha256:29572ef2b1f17581046b3a2227d5c611fb25ec70ca1ba8554b24b0e69331a484 \ --hash=sha256:d443872c98d677bf60f6a1f2f8c1cb748e8fe762d2bf9d3148b5599295b0fc4f @@ -1871,7 +1994,7 @@ packaging==25.0 \ palettable==3.3.3 \ --hash=sha256:094dd7d9a5fc1cca4854773e5c1fc6a315b33bd5b3a8f47064928facaf0490a8 \ --hash=sha256:74e9e7d7fe5a9be065e02397558ed1777b2df0b793a6f4ce1a5ee74f74fb0caa - # via pymatgen + # via pymatgen-core pandas==3.0.0rc1 \ --hash=sha256:004af2dbf173c2fe9995dabe718af838c4d8671e7106fd4bb613929fb001a82d \ --hash=sha256:03a05703a2ed9973d2c0d5e694746d5d49f0388993f0976b3749e298134a96ea \ @@ -1924,104 +2047,100 @@ pandas==3.0.0rc1 \ # via # dinosaur # neuralgcm - # pymatgen + # pymatgen-core # xarray partd==1.4.2 \ --hash=sha256:978e4ac767ec4ba5b86c6eaa52e5a2a3bc748a2ca839e8cc798f1cc6ce6efb0f \ --hash=sha256:d022c33afbdc8405c226621b015e8067888173d85f7f5ecebb3cafed9a20f02c # via dask -pillow==12.0.0 \ - --hash=sha256:0869154a2d0546545cde61d1789a6524319fc1897d9ee31218eae7a60ccc5643 \ - --hash=sha256:09f2d0abef9e4e2f349305a4f8cc784a8a6c2f58a8c4892eea13b10a943bd26e \ - --hash=sha256:0b817e7035ea7f6b942c13aa03bb554fc44fea70838ea21f8eb31c638326584e \ - --hash=sha256:0fd00cac9c03256c8b2ff58f162ebcd2587ad3e1f2e397eab718c47e24d231cc \ - --hash=sha256:110486b79f2d112cf6add83b28b627e369219388f64ef2f960fef9ebaf54c642 \ - --hash=sha256:1979f4566bb96c1e50a62d9831e2ea2d1211761e5662afc545fa766f996632f6 \ - --hash=sha256:1ac11e8ea4f611c3c0147424eae514028b5e9077dd99ab91e1bd7bc33ff145e1 \ - --hash=sha256:1b1b133e6e16105f524a8dec491e0586d072948ce15c9b914e41cdadd209052b \ - --hash=sha256:1ee80a59f6ce048ae13cda1abf7fbd2a34ab9ee7d401c46be3ca685d1999a399 \ - --hash=sha256:21f241bdd5080a15bc86d3466a9f6074a9c2c2b314100dd896ac81ee6db2f1ba \ - --hash=sha256:266cd5f2b63ff316d5a1bba46268e603c9caf5606d44f38c2873c380950576ad \ - --hash=sha256:26d9f7d2b604cd23aba3e9faf795787456ac25634d82cd060556998e39c6fa47 \ - --hash=sha256:27f95b12453d165099c84f8a8bfdfd46b9e4bda9e0e4b65f0635430027f55739 \ - --hash=sha256:2c54c1a783d6d60595d3514f0efe9b37c8808746a66920315bfd34a938d7994b \ - --hash=sha256:2fa5f0b6716fc88f11380b88b31fe591a06c6315e955c096c35715788b339e3f \ - --hash=sha256:32ed80ea8a90ee3e6fa08c21e2e091bba6eda8eccc83dbc34c95169507a91f10 \ - --hash=sha256:3830c769decf88f1289680a59d4f4c46c72573446352e2befec9a8512104fa52 \ - --hash=sha256:38df9b4bfd3db902c9c2bd369bcacaf9d935b2fff73709429d95cc41554f7b3d \ - --hash=sha256:3adfb466bbc544b926d50fe8f4a4e6abd8c6bffd28a26177594e6e9b2b76572b \ - --hash=sha256:3e42edad50b6909089750e65c91aa09aaf1e0a71310d383f11321b27c224ed8a \ - --hash=sha256:4078242472387600b2ce8d93ade8899c12bf33fa89e55ec89fe126e9d6d5d9e9 \ - --hash=sha256:455247ac8a4cfb7b9bc45b7e432d10421aea9fc2e74d285ba4072688a74c2e9d \ - --hash=sha256:4cc6b3b2efff105c6a1656cfe59da4fdde2cda9af1c5e0b58529b24525d0a098 \ - --hash=sha256:4cf7fed4b4580601c4345ceb5d4cbf5a980d030fd5ad07c4d2ec589f95f09905 \ - 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--hash=sha256:c828a1ae702fc712978bda0320ba1b9893d99be0badf2647f693cc01cf0f04fa \ - --hash=sha256:c85de1136429c524e55cfa4e033b4a7940ac5c8ee4d9401cc2d1bf48154bbc7b \ - --hash=sha256:c98fa880d695de164b4135a52fd2e9cd7b7c90a9d8ac5e9e443a24a95ef9248e \ - --hash=sha256:cae81479f77420d217def5f54b5b9d279804d17e982e0f2fa19b1d1e14ab5197 \ - --hash=sha256:d034140032870024e6b9892c692fe2968493790dd57208b2c37e3fb35f6df3ab \ - --hash=sha256:d120c38a42c234dc9a8c5de7ceaaf899cf33561956acb4941653f8bdc657aa79 \ - --hash=sha256:d4827615da15cd59784ce39d3388275ec093ae3ee8d7f0c089b76fa87af756c2 \ - --hash=sha256:d49e2314c373f4c2b39446fb1a45ed333c850e09d0c59ac79b72eb3b95397363 \ - --hash=sha256:d52610d51e265a51518692045e372a4c363056130d922a7351429ac9f27e70b0 \ - --hash=sha256:d64317d2587c70324b79861babb9c09f71fbb780bad212018874b2c013d8600e \ - --hash=sha256:d77153e14b709fd8b8af6f66a3afbb9ed6e9fc5ccf0b6b7e1ced7b036a228782 \ - --hash=sha256:d7e091d464ac59d2c7ad8e7e08105eaf9dafbc3883fd7265ffccc2baad6ac925 \ - --hash=sha256:dd333073e0cacdc3089525c7df7d39b211bcdf31fc2824e49d01c6b6187b07d0 \ - --hash=sha256:e5d8efac84c9afcb40914ab49ba063d94f5dbdf5066db4482c66a992f47a3a3b \ - --hash=sha256:f135c702ac42262573fe9714dfe99c944b4ba307af5eb507abef1667e2cbbced \ - --hash=sha256:f13711b1a5ba512d647a0e4ba79280d3a9a045aaf7e0cc6fbe96b91d4cdf6b0c \ - --hash=sha256:f4f1231b7dec408e8670264ce63e9c71409d9583dd21d32c163e25213ee2a344 \ - --hash=sha256:fa3ed2a29a9e9d2d488b4da81dcb54720ac3104a20bf0bd273f1e4648aff5af9 \ - --hash=sha256:fb3096c30df99fd01c7bf8e544f392103d0795b9f98ba71a8054bcbf56b255f1 +pillow==12.3.0 \ + --hash=sha256:00808c5e14ef63ac5161091d242999076604ff74b883423a11e5d7bbb38bf756 \ + --hash=sha256:04f01d28a6aaff387bf842a13be313df23ba0597a44f1a976c9feb3c6ff4711a \ + --hash=sha256:06ff022112bc9cbf83b60f8e028d94ad87b60621706487e65f673de61610ab59 \ + --hash=sha256:0740a512dc522224c77d9aa5a8d70d8b7d73fb91f2c21125d8d025d3b8990e45 \ + --hash=sha256:0847a763afefb695bc912d7c131e7e0632d4edc1d8698f58ddabec8e46b8b6d3 \ + --hash=sha256:0dd2064cbc55aaec028ef5fbb60fa47bb6c3e7918e07ff17935284b227a9d2df \ + --hash=sha256:0feb2e9d6ad6c9e3c06effe9d00f3f1e618a6643273576b016f591e9315a7139 \ + --hash=sha256:10e41f0fbf1eec8cfd234b8fe17a4caac7c9d0db4c204d3c173a8f9f6ef3232b \ + --hash=sha256:1182d52bc2d5e5d7d0949503aa7e36d12f42205dc287e4883f407b1988820d39 \ + --hash=sha256:164b31cd1a0490ab6efae01aa5df49da7061be0af1b30e035b6e9a1bfe34ee6e \ + --hash=sha256:1657923d2d45afb66526e5b933e5b3052e6bdea196c90d3abb2424e18c77dae8 \ + --hash=sha256:186941b6aef820ad110fb01fb06eb925374dc3a21b17e37ec9a53b250c6fe2d1 \ + --hash=sha256:1cca606cd25738df4ed873d5ad46bbdb3d83b5cbca291f6b4ff13a4df6b0bbe8 \ + --hash=sha256:21900ce7ba264168cd50defae43cd75d25c833ad4ad6e73ffc5596d12e25ac89 \ + --hash=sha256:236ff70b9312fb68943c703aa842ca6a758abfa45ac187a5e7c1452e96ef72b5 \ + --hash=sha256:23aceaa007d6172b02c277f0cd359c79492bbb14f7072b4ede9fbcaf20648130 \ + --hash=sha256:23d27a3e0307ec2244cc51e7287b919aa68d097504ebe19df4e76a98a3eea5bd \ + --hash=sha256:24870b09b224f7ae3c39ed07d10e819d06f8720bc551847b1d623832b5b0e28d \ + --hash=sha256:251bf95b67017e27b13d82f5b326234ca62d70f9cf4c2b9032de2358a3b12c7b \ + --hash=sha256:25b9b82bb22e6e2b3cd07b39c68b7b862001226cb3dff7130d1cb914121b39ed \ + --hash=sha256:28ce87c5ab450a9dd970b52e5aca5fe63ed432d18a2eaddd1979a00a1ba24ace \ + --hash=sha256:300557495eb45ebb8aec96c2da9c4be642fbf7cd937278b4013ba894ea8eb0eb \ + --hash=sha256:30f2aa603c41533cc25c05acd0da21636e84a315768feb631c937177db558931 \ + --hash=sha256:331b624368d4f1d069149002f25f44bc61c8919ce8ddb3c45bdad8f6e2d89510 \ + --hash=sha256:37d6d0a00072fd2948eb22bce7e1475f34569d90c87c59f7a2ec59541b77f7a6 \ + --hash=sha256:37dc8f7bbb66efe481bb60defacef820c950c24713fb44962ed6aa2a50966de1 \ + --hash=sha256:3b8182a766685eaa002637e28b4ec8d6b18819a0c71f579bf0dbaa5830297cce \ + --hash=sha256:3edce1d53195db527e0191f84b71d02022de0540bf43a16ed734ed7537b07385 \ + --hash=sha256:446c34dcc4324b084a53b705127dc15717b22c5e140ae0a3c38349d4efec071e \ + --hash=sha256:4998562bf62a445225f22e07c896bb04b35b1b1f2eb6d760584c9c51d7a5f78c \ + --hash=sha256:4b0a7fe987b14c31ebda6083f74f22b561fd3739bc0ac51e019622e3d72668c7 \ + --hash=sha256:4e8c2a84d977f50b9daed6eeaf3baef67d00d5d74d932288f02cb94518ee3ace \ + --hash=sha256:4f883547d4b7f0495ebe7056b0cc2aea76094e7a4abc8e933540f3271df27d9c \ + --hash=sha256:514435a37670e3e5e08f3945b68718b6ed329bb84367777e16f9f4dfe1e61a0f \ + --hash=sha256:53aa02d20d10c3d814d536aa4e5ac9b84ca0ff5a88377963b085ad6822f93e64 \ + --hash=sha256:5594fc43d548a7ed94949d139aa1341b270f1863f11cfd37f5a6c8b778a6b67f \ + --hash=sha256:571b9fcb07b97ef3a492028fb3d2dc0993ca23a06138b0315286566d29ef718a \ + --hash=sha256:57b3d78c95ba9059768b10e28b813002261d3f3dfc55cc48b0c988f625175827 \ + --hash=sha256:5afb51d599ea772b8365ae807ae557f18bccfe46ab261fd1c2a9ed700fc6eb17 \ + --hash=sha256:6b02afb9b97f65fbca5f31db6a2a3ba21aa93030225f150fa3f249717e938fb4 \ + --hash=sha256:6c0016e7b354317c4e9e525b937ac8596c38d2d232b419529b9cd7a1cd46e39a \ + --hash=sha256:71d6097b330eea8fd15097780c8e89cb1a8ce7838669f48c5bacd6f663dd4701 \ + --hash=sha256:756c768d0c9c2955feb7a56c37ea24aea2e369f8d36a88da270b6a9f19e62b5e \ + --hash=sha256:78cb2c6865a35ab8ff8b75fd122f6033b92a62c82801110e48ddd6c936a45d91 \ + --hash=sha256:7a743ff716f746fc19a9557f60dab1600d4613255f8a7aeb3cdde4db7eb15a66 \ + --hash=sha256:85f998ea1848bc6757289e739cfbdda3a04adfd58b02fc018ce54d754a5ce468 \ + --hash=sha256:8728f216dcdb6e6d555cf971cb34076139ad74b31fc2c14da4fafc741c5f6217 \ + --hash=sha256:877c3f311ff35410f690861c4409e7ccbf0cd2f878e50628a28e5a0bb689e658 \ + --hash=sha256:8cd2f7bdda092d99c9fc2fb7391354f306d01443d22785d0cbfafa2e2c8bb418 \ + --hash=sha256:8e95e1385e4998ae9694eeaa4730ba5457ff61185b3a55e2e7bea0880aef452a \ + --hash=sha256:962864dc93511324d51ddbb5b9f8731bf71675b93ca612a07441896f4688fb8c \ + --hash=sha256:9cf95fe4d0f84c82d282745d9bb08ad9f926efa00be4697e767b814ce40d4330 \ + --hash=sha256:9e881fca225083806662a5c43d627d215f258ff43c890f831966c7d7ba9c7402 \ + --hash=sha256:a2b55dd6b2a4c4b7d87ffa56bdb33fdc5fdb9a462173861a7bc097f17d91cb09 \ + --hash=sha256:a45650e8ce7fafffd731db8550230db6b0d306d181a90b67d3e6bca2f1990930 \ + --hash=sha256:a876864214e136f0eb367788dbd7df045f4806801518e2cfe9e13229cfe06d8f \ + --hash=sha256:ae26d61dfa7a47befdc7572b521024e8745f3d809bd95ca9505a7bba9ef849ec \ + --hash=sha256:af8d94b0db561cf68b88a267c5c44b49e134f525d0dc2cb7ed413a66bc23559a \ + --hash=sha256:b343699e8308bdc51978310e1c959c584e7869cc8c40780058c87da7781a1e94 \ + --hash=sha256:b3c777e849237620b022f7f297dd67705f9f5cf1685f09f02e46f93e92725468 \ + --hash=sha256:b629de27fda84b42cde7edef0d85f13b958b47f6e9bbcbba9b673c562a89bd8b \ + --hash=sha256:ba09209fbe443b4acccebe845d8a138b89a8f4fbaeedd44953490b5315d5e965 \ + --hash=sha256:ba54cfebe86920a559a7c4d6b9050791c20513650a1952ebe3368c7dc70306f8 \ + --hash=sha256:bcb46e2f9feff8d06323983bd83ed00c201fdcab3d74973e7072a889b3979fcd \ + --hash=sha256:bcc33feacfaefce60c12fd500a277533bdc02b10a19f7f6d348763d8140bbba7 \ + --hash=sha256:bf16ba1b4d0b6b7c8e534936632270cf70eb00dbe09005bc345b2677b726855c \ + --hash=sha256:cf1845d02ad822a369a49f2bb9345b1614744267682e7a03527dc3bf6eea1777 \ + --hash=sha256:d69141514cc30b774ceea5e3ed3a6635c8d8a96edf664689b890f4089111fb35 \ + --hash=sha256:d9c7f76c0673154f044e9d78c8655fb4213f6ca31a836df48b40fe5d187717b9 \ + --hash=sha256:dbce0b29841537a2fa4a214c2bbf14de3587c9680caa9b4e217568472490b28f \ + --hash=sha256:dc624f6bc473dacdf7ef7eb8678d0d08edf15cd94fad6ae5c7d6cc67a4e4902f \ + --hash=sha256:e158cb00350dc278f3b91551101aa7d12415a66ebf2c91d8d5ac14e56ddd3ad0 \ + --hash=sha256:e491916b378fba47242221bb9ead245211b70d504f495d105d17b14a24b4907c \ + --hash=sha256:e795b7eb908249c4e43c7c99fac7c2c75dab0c43566e37db472a355f63693d71 \ + --hash=sha256:e7e480451b9fa137494bccd3a7d69adbe8ac65a87d97be61e11f1b1050a5bac3 \ + --hash=sha256:e91206ee562682b51b98ef4b26a6ef48fd84e15fd4c4bc5ec768eb641d206838 \ + --hash=sha256:e9871b1ffbfa9656b60aeee92ed5136a5742696006fa322b29ea3d8da0ecc9cf \ + --hash=sha256:e9aeb04d6aef139de265b29683e119b638208f88cf73cdd1658aa07221165321 \ + --hash=sha256:ebaea975e03d3141d9d3a507df75c9b3ec90fa9d2ffd07567b3a978d9d790b26 \ + --hash=sha256:f0606c8bf2cdefea14a43530f7657cbbb7ecf1c4222512492ef4a4434a9501ec \ + --hash=sha256:f13c32a3abd6079a66d9526e18dad9b6d280384d49d7c54040cd57b6424041d9 \ + --hash=sha256:f7401aebd7f581d7f83a439d87d474999317ee099218e5ad25d125290990ba65 \ + --hash=sha256:fa4ecea169a355be7a3ade2c783e2ed12f0e40d2c5621cda8b3297faf7fbb9f5 \ + --hash=sha256:fbd139c8447d25dd750ab79ee274cc5e1fe80fc56340ab10b18a195e1b6eca3e \ + --hash=sha256:fdafc9cce40277e0f7a0feabce0ee50dd2fa1800f3b38015e51296b5e814048d \ + --hash=sha256:fe3cca2e4e8a592be0f269a1ca4835c25199d9f3ce815c8491048f785b0a0198 \ + --hash=sha256:ffd0c5368496f41b0944be820fcb7a838aa6e623d250b01acf2643939c3f99d7 # via matplotlib pint==0.25.2 \ --hash=sha256:85a45d1da8fe9c9f7477fed8aef59ad2b939af3d6611507e1a9cbdacdcd3450a \ @@ -2031,10 +2150,10 @@ platformdirs==4.5.1 \ --hash=sha256:61d5cdcc6065745cdd94f0f878977f8de9437be93de97c1c12f853c9c0cdcbda \ --hash=sha256:d03afa3963c806a9bed9d5125c8f4cb2fdaf74a55ab60e5d59b3fde758104d31 # via pint -plotly==6.5.0 \ - --hash=sha256:5ac851e100367735250206788a2b1325412aa4a4917a4fe3e6f0bc5aa6f3d90a \ - --hash=sha256:d5d38224883fd38c1409bef7d6a8dc32b74348d39313f3c52ca998b8e447f5c8 - # via pymatgen +plotly==6.9.0 \ + --hash=sha256:36bebe2f1bb13884774fe61689c329071446f6ce4a8927fb1f0d6fb24f581236 \ + --hash=sha256:967ad33e8c704fed051800d11d985eb206a9c795c14206b30a6f463ed9c67d0d + # via pymatgen-core propcache==0.4.1 \ --hash=sha256:0002004213ee1f36cfb3f9a42b5066100c44276b9b72b4e1504cddd3d692e86e \ --hash=sha256:0013cb6f8dde4b2a2f66903b8ba740bdfe378c943c4377a200551ceb27f379e4 \ @@ -2223,40 +2342,39 @@ pygments==2.19.2 \ --hash=sha256:636cb2477cec7f8952536970bc533bc43743542f70392ae026374600add5b887 \ --hash=sha256:86540386c03d588bb81d44bc3928634ff26449851e99741617ecb9037ee5ec0b # via rich -pylatexenc==3.0a33 \ - --hash=sha256:087c9d6d280ba1242e01caf0a6436b18e9790e07148eb9430aeaa51b68d2c114 \ - --hash=sha256:71221905d8e731c0600cde10af08f16f539723b6ffe17f478e56f5c0208c507a +pylatexenc==2.10 \ + --hash=sha256:3dd8fd84eb46dc30bee1e23eaab8d8fb5a7f507347b23e5f38ad9675c84f40d3 # via bibtexparser -pymatgen==2025.10.7 \ - --hash=sha256:09e47e0899d820fccba673e6911bda850dce20ee1bcd8ffee4849082bb8b4d87 \ - --hash=sha256:11b4b4dcc847c377088984e58802d155b79237a53d586eb75f32370ed8fafda2 \ - --hash=sha256:13103be858c333f9b23fe190d385c7b4dc0e3824e21abca85d8d274722de7bed \ - --hash=sha256:18c3b66358c8a607d0cfcc57551a0640100024812d16217548dcdb17b42dfa3c \ - --hash=sha256:206201d8ebc6c8a2af9748a3dfa3e1975356eb9bf18f96db7021c2e3060cc3dd \ - --hash=sha256:248f32c722072f7cb0978215aefc80128f1381d92f2dd5d344b0a1fabfb44ed4 \ - --hash=sha256:2661c2b2793825dceb733f986a94d744cc429b8d5c540b7865778baeba3c1c9b \ - --hash=sha256:35da3f13a4bd686e2ff01c11995441fd2050c0efa58bcf2538430045ddcf85a5 \ - --hash=sha256:370aa89324548742ee674f1255a4daf0a4e98769f90dfdfabf97fa7c79e11f2d \ - --hash=sha256:45cfc87d3bf29da141e589aef150a6017262a1efbded907889ac4bf3ab3306ae \ - --hash=sha256:69d5865fad4d52f0bbe00df30311d5245bcf4f0e5ed5f6e7e4e6a42b54612e4f \ - --hash=sha256:6e9e88e11509f48dc75090a874122cda19ebe59d3ed9ee2614fb712bb88943fd \ - --hash=sha256:83de3725449c205746d3b14c64868d8d03ecbc4f62a9b991400c59e0aa94b660 \ - --hash=sha256:8a483073e573def8432276c766d91cd7d1c46433d58aad1e1f038bd018d41ea9 \ - --hash=sha256:8df389e96d42da0fce68b8f55d6b0a87dcb0596ee0196017e6f2edd9d0f72397 \ - --hash=sha256:947bdc5ef053ec3ac328c8be3c431b0a3778a2e3c65853dbefa7ac6d0e101c92 \ - --hash=sha256:9ff0db7c9614db9c687825d1ac5e8db3655ec663578faa79ebd9091000f831a0 \ - --hash=sha256:a3127e4e3a96e668d66ce16ef65cbb4b641950197ee3f3ab38d4b79f4fc09017 \ - --hash=sha256:b159f9abd6755be106359d77c677be8a71ce882a0ba68a063212c7c168420431 \ - --hash=sha256:c83cc623a46121ce4482f9bec2c8deefbb8a578fb8569cccb645b732410d903d \ - --hash=sha256:d03be1675d2415422fdc1dc26ac30d9e0d6badcdb6fafe0177094c45676415fb \ - --hash=sha256:da25604f474f7b6725dfd54ad3aec826c5b7ae16edf794b6b66b3dc86a9931ad \ - --hash=sha256:f365d1d8c897583bac65b0b8f906b4bd4458122750457dc791d25388b7e74a48 \ - --hash=sha256:f4d0c605a0b8d0573973b2eb5491e80110438fe053d16fc6d7365df951123f58 \ - --hash=sha256:ff89c4b16271fba2f15cf3984f3b27daefca99fe40e222cc8dbbd8bf35c9a47b +pymatgen==2026.5.4 \ + --hash=sha256:4998d6084da72224c8025dc1e9645b2aab73896109a7ef1e05bd479a25a55b79 \ + --hash=sha256:7815cd4310c6d5a465b0da14a1633479cf61366676e62764db17f7e2a20d1974 # via jax-md -pyparsing==3.3.1 \ - --hash=sha256:023b5e7e5520ad96642e2c6db4cb683d3970bd640cdf7115049a6e9c3682df82 \ - --hash=sha256:47fad0f17ac1e2cad3de3b458570fbc9b03560aa029ed5e16ee5554da9a2251c +pymatgen-core==2026.7.16 \ + --hash=sha256:02bbf6c760b86a26d8e31de99e0f54985038a35783874c42b434297eba609365 \ + --hash=sha256:0cc9b96d6a10d0c94e6dc4e79a7e3b019b66e77018fc5bf38937308928e15a61 \ + --hash=sha256:158f456f7aba250b59ce48698af1a7e009eda6ebc404c1a29dc1f308d67a8825 \ + --hash=sha256:2db473481d1e961e22f6b7bc67418715119fa7a7c8a74d98cf59268e99fc4e28 \ + --hash=sha256:37d97cbdb53592a97af0978dd36fe763b9edebf658851ceac06efc3db8dbf3ba \ + --hash=sha256:50bab26e1de5abc6a3563997d749e4bbf69fdfeb6dcd6fc244b17dab16ce0f3e \ + --hash=sha256:6410af4e2fd62010412056b50dc5533c5d5b547ef4e91a7757ca7cffc41412ad \ + --hash=sha256:68de2619a380739626c167cefb617c338937b147aad68d78c740947168709d8a \ + --hash=sha256:7db6f26be624c02b2e97f259b8f250a7ea8e71397b8bada15fae012622833f29 \ + --hash=sha256:83dd96d4c38fffa6503042b9df633669bd73d45f6bcaee796bb84eda08e3ba7c \ + --hash=sha256:93453bc4acc3b177bc155aac6fa77eff8d3a594b3c8d71e5d79a0341f0abc717 \ + --hash=sha256:9699b45caccdec7a468edc6cf6637317364071e038e3513b86438386fa88f5c6 \ + --hash=sha256:a445dd50b18b8bee50acb5e131ae2be6e56df254077125828df8a2dff3941415 \ + --hash=sha256:a4e178616f356b5333640eba1b9554e508ba66c06c3fb8ec5d93425e9322ca7d \ + --hash=sha256:aa04b70f14f80cc3eddb7857547e2bdefb90bece700e745bfb7d694240d505e5 \ + --hash=sha256:ab33075fd6d90dd1301ca306d2a0720510ab71300f7a5040b9eff951f668d50c \ + --hash=sha256:b72e3b35a7c5f55cb933fd6076afa3e24615a54d270e19f3a3e8f287e8c9270c \ + --hash=sha256:bf1f846532b8d5bef2882c89fff29057fea9c10f49b11df3c28f42b46fc98314 \ + --hash=sha256:c81b6312e0920ee16c981e823749eb1e0363b08023c5c74e35294ceb9c786f99 \ + --hash=sha256:dbe1a88a0cfe32ec43d65271f23061c5468b72d51368db3b2f200cef2897d7bc \ + --hash=sha256:eda6fad7a2722e74ed4c4dfda85c746412d3a81207d57b3581b39055f8a97d7b + # via pymatgen +pyparsing==3.3.2 \ + --hash=sha256:850ba148bd908d7e2411587e247a1e4f0327839c40e2e5e6d05a007ecc69911d \ + --hash=sha256:c777f4d763f140633dcb6d8a3eda953bf7a214dc4eff598413c070bcdc117cbc # via matplotlib python-dateutil==2.9.0.post0 \ --hash=sha256:37dd54208da7e1cd875388217d5e00ebd4179249f90fb72437e91a35459a0ad3 \ @@ -2352,7 +2470,7 @@ requests==2.32.5 \ # gcsfs # google-api-core # google-cloud-storage - # pymatgen + # pymatgen-core # requests-oauthlib requests-oauthlib==2.0.0 \ --hash=sha256:7dd8a5c40426b779b0868c404bdef9768deccf22749cde15852df527e6269b36 \ @@ -2366,75 +2484,10 @@ rsa==4.9.1 \ --hash=sha256:68635866661c6836b8d39430f97a996acbd61bfa49406748ea243539fe239762 \ --hash=sha256:e7bdbfdb5497da4c07dfd35530e1a902659db6ff241e39d9953cad06ebd0ae75 # via google-auth -ruamel-yaml==0.18.17 \ - --hash=sha256:9091cd6e2d93a3a4b157ddb8fabf348c3de7f1fb1381346d985b6b247dcd8d3c \ - --hash=sha256:9c8ba9eb3e793efdf924b60d521820869d5bf0cb9c6f1b82d82de8295e290b9d - # via - # monty - # pymatgen -ruamel-yaml-clib==0.2.15 \ - --hash=sha256:014181cdec565c8745b7cbc4de3bf2cc8ced05183d986e6d1200168e5bb59490 \ - --hash=sha256:04d21dc9c57d9608225da28285900762befbb0165ae48482c15d8d4989d4af14 \ - --hash=sha256:05c70f7f86be6f7bee53794d80050a28ae7e13e4a0087c1839dcdefd68eb36b6 \ - --hash=sha256:0ba6604bbc3dfcef844631932d06a1a4dcac3fee904efccf582261948431628a \ - --hash=sha256:11e5499db1ccbc7f4b41f0565e4f799d863ea720e01d3e99fa0b7b5fcd7802c9 \ - --hash=sha256:1b45498cc81a4724a2d42273d6cfc243c0547ad7c6b87b4f774cb7bcc131c98d \ - --hash=sha256:1bb7b728fd9f405aa00b4a0b17ba3f3b810d0ccc5f77f7373162e9b5f0ff75d5 \ - --hash=sha256:1f66f600833af58bea694d5892453f2270695b92200280ee8c625ec5a477eed3 \ - --hash=sha256:27dc656e84396e6d687f97c6e65fb284d100483628f02d95464fd731743a4afe \ - --hash=sha256:2812ff359ec1f30129b62372e5f22a52936fac13d5d21e70373dbca5d64bb97c \ - --hash=sha256:2b216904750889133d9222b7b873c199d48ecbb12912aca78970f84a5aa1a4bc \ - --hash=sha256:331fb180858dd8534f0e61aa243b944f25e73a4dae9962bd44c46d1761126bbf \ - --hash=sha256:3cb75a3c14f1d6c3c2a94631e362802f70e83e20d1f2b2ef3026c05b415c4900 \ - --hash=sha256:3eb199178b08956e5be6288ee0b05b2fb0b5c1f309725ad25d9c6ea7e27f962a \ - --hash=sha256:424ead8cef3939d690c4b5c85ef5b52155a231ff8b252961b6516ed7cf05f6aa \ - --hash=sha256:45702dfbea1420ba3450bb3dd9a80b33f0badd57539c6aac09f42584303e0db6 \ - --hash=sha256:468858e5cbde0198337e6a2a78eda8c3fb148bdf4c6498eaf4bc9ba3f8e780bd \ - --hash=sha256:46895c17ead5e22bea5e576f1db7e41cb273e8d062c04a6a49013d9f60996c25 \ - --hash=sha256:46e4cc8c43ef6a94885f72512094e482114a8a706d3c555a34ed4b0d20200600 \ - --hash=sha256:480894aee0b29752560a9de46c0e5f84a82602f2bc5c6cde8db9a345319acfdf \ - --hash=sha256:4b293a37dc97e2b1e8a1aec62792d1e52027087c8eea4fc7b5abd2bdafdd6642 \ - --hash=sha256:4be366220090d7c3424ac2b71c90d1044ea34fca8c0b88f250064fd06087e614 \ - --hash=sha256:4d1032919280ebc04a80e4fb1e93f7a738129857eaec9448310e638c8bccefcf \ - --hash=sha256:4d3b58ab2454b4747442ac76fab66739c72b1e2bb9bd173d7694b9f9dbc9c000 \ - --hash=sha256:4dcec721fddbb62e60c2801ba08c87010bd6b700054a09998c4d09c08147b8fb \ - --hash=sha256:512571ad41bba04eac7268fe33f7f4742210ca26a81fe0c75357fa682636c690 \ - --hash=sha256:542d77b72786a35563f97069b9379ce762944e67055bea293480f7734b2c7e5e \ - --hash=sha256:56ea19c157ed8c74b6be51b5fa1c3aff6e289a041575f0556f66e5fb848bb137 \ - --hash=sha256:5d3c9210219cbc0f22706f19b154c9a798ff65a6beeafbf77fc9c057ec806f7d \ - --hash=sha256:5fea0932358e18293407feb921d4f4457db837b67ec1837f87074667449f9401 \ - --hash=sha256:617d35dc765715fa86f8c3ccdae1e4229055832c452d4ec20856136acc75053f \ - --hash=sha256:64da03cbe93c1e91af133f5bec37fd24d0d4ba2418eaf970d7166b0a26a148a2 \ - --hash=sha256:65f48245279f9bb301d1276f9679b82e4c080a1ae25e679f682ac62446fac471 \ - --hash=sha256:6f1d38cbe622039d111b69e9ca945e7e3efebb30ba998867908773183357f3ed \ - --hash=sha256:713cd68af9dfbe0bb588e144a61aad8dcc00ef92a82d2e87183ca662d242f524 \ - --hash=sha256:71845d377c7a47afc6592aacfea738cc8a7e876d586dfba814501d8c53c1ba60 \ - --hash=sha256:753faf20b3a5906faf1fc50e4ddb8c074cb9b251e00b14c18b28492f933ac8ef \ - --hash=sha256:7e74ea87307303ba91073b63e67f2c667e93f05a8c63079ee5b7a5c8d0d7b043 \ - --hash=sha256:88eea8baf72f0ccf232c22124d122a7f26e8a24110a0273d9bcddcb0f7e1fa03 \ - --hash=sha256:923816815974425fbb1f1bf57e85eca6e14d8adc313c66db21c094927ad01815 \ - --hash=sha256:9b6f7d74d094d1f3a4e157278da97752f16ee230080ae331fcc219056ca54f77 \ - --hash=sha256:a8220fd4c6f98485e97aea65e1df76d4fed1678ede1fe1d0eed2957230d287c4 \ - --hash=sha256:ab0df0648d86a7ecbd9c632e8f8d6b21bb21b5fc9d9e095c796cacf32a728d2d \ - --hash=sha256:ac9b8d5fa4bb7fd2917ab5027f60d4234345fd366fe39aa711d5dca090aa1467 \ - --hash=sha256:badd1d7283f3e5894779a6ea8944cc765138b96804496c91812b2829f70e18a7 \ - --hash=sha256:bdc06ad71173b915167702f55d0f3f027fc61abd975bd308a0968c02db4a4c3e \ - --hash=sha256:bf0846d629e160223805db9fe8cc7aec16aaa11a07310c50c8c7164efa440aec \ - --hash=sha256:bfd309b316228acecfa30670c3887dcedf9b7a44ea39e2101e75d2654522acd4 \ - --hash=sha256:c583229f336682b7212a43d2fa32c30e643d3076178fb9f7a6a14dde85a2d8bd \ - --hash=sha256:cb15a2e2a90c8475df45c0949793af1ff413acfb0a716b8b94e488ea95ce7cff \ - --hash=sha256:d290eda8f6ada19e1771b54e5706b8f9807e6bb08e873900d5ba114ced13e02c \ - --hash=sha256:da3d6adadcf55a93c214d23941aef4abfd45652110aed6580e814152f385b862 \ - --hash=sha256:dcc7f3162d3711fd5d52e2267e44636e3e566d1e5675a5f0b30e98f2c4af7974 \ - --hash=sha256:def5663361f6771b18646620fca12968aae730132e104688766cf8a3b1d65922 \ - --hash=sha256:e5e9f630c73a490b758bf14d859a39f375e6999aea5ddd2e2e9da89b9953486a \ - --hash=sha256:e9fde97ecb7bb9c41261c2ce0da10323e9227555c674989f8d9eb7572fc2098d \ - --hash=sha256:ef71831bd61fbdb7aa0399d5c4da06bea37107ab5c79ff884cc07f2450910262 \ - --hash=sha256:f4421ab780c37210a07d138e56dd4b51f8642187cdfb433eb687fe8c11de0144 \ - --hash=sha256:f6d3655e95a80325b84c4e14c080b2470fe4f33b6846f288379ce36154993fb1 \ - --hash=sha256:fd4c928ddf6bce586285daa6d90680b9c291cfd045fc40aad34e445d57b1bf51 \ - --hash=sha256:fe239bdfdae2302e93bd6e8264bd9b71290218fff7084a9db250b55caaccf43f - # via ruamel-yaml +ruamel-yaml==0.19.1 \ + --hash=sha256:27592957fedf6e0b62f281e96effd28043345e0e66001f97683aa9a40c667c93 \ + --hash=sha256:53eb66cd27849eff968ebf8f0bf61f46cdac2da1d1f3576dd4ccee9b25c31993 + # via monty scikit-learn==1.8.0 \ --hash=sha256:00d6f1d66fbcf4eba6e356e1420d33cc06c70a45bb1363cd6f6a8e4ebbbdece2 \ --hash=sha256:0d6ae97234d5d7079dc0040990a6f7aeb97cb7fa7e8945f1999a429b23569e0a \ @@ -2540,7 +2593,7 @@ scipy==1.17.0rc1 \ # dinosaur # jax # jaxlib - # pymatgen + # pymatgen-core # scikit-learn setuptools==80.9.0 \ --hash=sha256:062d34222ad13e0cc312a4c02d73f059e86a4acbfbdea8f8f76b28c99f306922 \ @@ -2665,46 +2718,53 @@ six==1.17.0 \ # gviz-api # python-dateutil # xprof -spglib==2.6.0 \ - --hash=sha256:02d2e730a3b2cb43e318944493d0c288592b0e2ddbab0d222a548312659ee22a \ - --hash=sha256:046b72f67f0a6e47ea2ec43c160c8f223f5bb557311617aa2043c5d0bb3b39fa \ - --hash=sha256:0aa76030b070cac33f71c2b80a97f5a13ce63bbcecf2dcb839637fbef998ab34 \ - --hash=sha256:0c5410f73e7455372309309444541fd7a8c6e72b0536185d5b8e95dc5e0b949d \ - --hash=sha256:12db7a0d6ad84c55e61eda67590a438edeb48e57ffd5df868cd931b57fb8c630 \ - --hash=sha256:231af497fa2c7cec7943291d07e61e67c4202acecc3f79876bf7c48a86432202 \ - --hash=sha256:32412b0e1287e3ae59758d5ce8f91a35f377e53eb2931341e4e9a1e1be187a54 \ - --hash=sha256:33356cbea5a443d691229ebfd09fd5c9dbe259249d1edd3391073dbb6038def6 \ - --hash=sha256:4dbb67f9d9e98f21e389d75a1b1661184db056007a55a23322e3e986cdd15aee \ - --hash=sha256:6a64ade674bf8018c26d3f549a94e75cf124508a54a8fc4ef249ac7b2a51545b \ - --hash=sha256:6ebf487ab9f87378f4514e9415f27a546e3cd03ced6aa40428bb16bcb9728334 \ - --hash=sha256:83ea2e90addc7232017c793a32d94b47bc68040c595671d1cbb836ede4349510 \ - --hash=sha256:86d0fd355689e58becd2cda609b03c3a0d9ad9d6f761cefd08b970db6f314eae \ - --hash=sha256:94675831b99433a09cd1aa29b5212d1c87e611bd92cb31f37ea73a5509219aef \ - --hash=sha256:9a72daeefcabf62ca88eff77adacf5b2b9d91a17c4f93d61d86f635476de8400 \ - --hash=sha256:9e8b045112a473e2a338d713e8579e053be6e12fc184d37c70ba12a24128b18b \ - --hash=sha256:a7b8a6415b02a3bd5c69fb6bc8a8f7a01e28a3376e579819c10f12c9ac875bcb \ - --hash=sha256:a8e9c34da1e2428c3a8bd4e209e5356d12d454d8ac54120d5ba4a437d3abe7ba \ - --hash=sha256:a99533dd2e324d2adcb39fb43bee2fa7d41dd389afad3cc740146c64cbf96c9f \ - --hash=sha256:c22d87849e1086cbe88399c08c93b4e7babec92c1db49f15ef8b081339b67e25 \ - --hash=sha256:cc9d856d7cc936dc73b6b303aaf8b2fb4230a8527659373450c6e1139cbb2a5c \ - --hash=sha256:d66eda2ba00a1e14fd96ec9c3b4dbf8ab0fb3f124643e35785c71ee455b408eb \ - --hash=sha256:d7872819b6448024ecf7dfccac45147d8cac839bdfff6763b92784aae63bd139 \ - --hash=sha256:f38b7a98e9cc56d23830e42af5d156802c6a756ef6ce52d7e35641b57f8daf7a \ - --hash=sha256:ff1632524f6ac0031423474e48d6b69f4932ecb7eb4446a501f59619e2b5cbc9 \ - --hash=sha256:ff6b2f21226f7ece7758eb1d320907168018aa0a30a57c2b0a24cbf8f6860211 - # via pymatgen +spglib==2.7.0 \ + --hash=sha256:034a46ba7877b584e271e15f9858d871f6167c2d2d6a1d26f3a7f19b55572f45 \ + --hash=sha256:067d31d40e962d6dd5102e3b45d67c85d0effa4da072a5b4987324bd6676a0a2 \ + --hash=sha256:0d2629fa81f85e389af22f2dd1f71ee325d5614b5907ba99b8f12cb97ec1d411 \ + --hash=sha256:0d8ecf030d13d67c4cc272423e5652b74eda57f86a0b118e007f6d12974cc256 \ + --hash=sha256:2a5a7c19210251263dcbed0fca6a66ab90546bfcf6b085d6fbdd636c4a29359b \ + --hash=sha256:39b978c08ef2ebc0eaba833c488fc4c0f9b1fc0f50d4a8584f176741eea69376 \ + --hash=sha256:3cf0ff80c01d8631ef4b9f1b78da79ff2044834e6e2d870f7f20c8579c921136 \ + --hash=sha256:468879702577124dcde0607a75396576e256f1cfa2d8fe48da4a928fbb27abc6 \ + --hash=sha256:50629939a9cd6fa3df5a12f6f025ceb3c78534284f875371574c360e4ccaf5e1 \ + --hash=sha256:54f4b6e789475384c62e759c618172707f261c0eae8017949fe4994b6b8cc779 \ + --hash=sha256:59f134e74f7f488de4bf5579ee6a35af25cb2c478c138de664fea1e14f3efbaf \ + --hash=sha256:5f334b4b66c8aafd583fafab5b15a56e27efdd2dc6cb1064dfcd0fe59ae130f4 \ + --hash=sha256:6913906fd9108e7bb2ce06a810513a95a82d801530f10230979bf3427bb7e771 \ + --hash=sha256:77d588a1adb62a8ab0cd2cd32aa1f6529a728eed48b0db146436d5d17b1b7d01 \ + --hash=sha256:95a65aa85f75a2046b87896848599486aa8b297e3ff480a8eb03e4fb339b65b4 \ + --hash=sha256:95e3dd7ef992ff8a88f6ef2e5909aaa60ecb479004cc1f73c1e6285d54227960 \ + --hash=sha256:97e0fcea2db3915bd973fdd2cc0a757b1f99bda71ce815da333d75ad1ffc3eb1 \ + --hash=sha256:9b6ca88bb6e604bc8f63efe87b3b2470c2e25f56988b775bd332cefa8866f5c5 \ + --hash=sha256:a7b29d2cfca6ac53e927686ca0b91257126e47f6abfa26451723a5cd40070352 \ + --hash=sha256:ab061ea6a3c3c25a1d0018b09c333c0458792036d3f45d892bd52793ed1f1bda \ + --hash=sha256:af2fb180e3e8d0f3ab172e7c9c2c5a75de6af8900fc5914d94d8674f022c166a \ + --hash=sha256:b032842fc223de46d2ef7d220459e1a61ed90329ac2e72818c605f1fc87451b8 \ + --hash=sha256:b7e29c796cfdadcc3857aef330acc19b9bc50c83e9911fb23b28390e7c80bae5 \ + --hash=sha256:be28673e90f7a6c7770f73c57e529d2bdbb373d06d26ee5e90991b548e9238aa \ + --hash=sha256:c40907a42c9dc45572f46740bf95412f84fb0eda30267e31665d104a4bde6627 \ + --hash=sha256:c76411bc1b96cd87c8733994747c7692512b583bb4ef89a65463ff4255221c11 \ + --hash=sha256:cb77daaf9dd5d48d523a888f37cebd47fa63ff28dfcf1aac2b031b914f9ed55a \ + --hash=sha256:ceb6730a2324d0c83579c803f3782e28bd41e79bbfe0c3dfdbf30e3d3a6320e5 \ + --hash=sha256:d25bb7e6d367e139b8f8afc3031509e0ded737a7c3b3ea060a7382dc0c10a84d \ + --hash=sha256:d5729ff0040baae764c17249302cd99f0eb4e73449612a8c69d3e60a215f062e \ + --hash=sha256:ef70132e23dfcc7ab6813742e0edab3f9906e61cd11c857f014bd5610a8bc88c \ + --hash=sha256:f627a4ed6f2396ed6e3e8eaf33a53ad143c8ffb8756a84a640f4569ac5ffa2a7 \ + --hash=sha256:f892ecce2dd1bc636b14a4e5bc13aabb73b008bd37a4d23636882c8971c432a0 + # via pymatgen-core sympy==1.14.0 \ --hash=sha256:d3d3fe8df1e5a0b42f0e7bdf50541697dbe7d23746e894990c030e2b05e72517 \ --hash=sha256:e091cc3e99d2141a0ba2847328f5479b05d94a6635cb96148ccb3f34671bd8f5 # via # e3nn-jax - # pymatgen + # pymatgen-core tabulate==0.9.0 \ --hash=sha256:0095b12bf5966de529c0feb1fa08671671b3368eec77d7ef7ab114be2c068b3c \ --hash=sha256:024ca478df22e9340661486f85298cff5f6dcdba14f3813e8830015b9ed1948f # via # dm-haiku - # pymatgen + # pymatgen-core tensorstore==0.1.80 \ --hash=sha256:04c29d979eb8b8ee48f873dc13d2701bfd49425500ffc5b848e4ec55b2548281 \ --hash=sha256:07e4a84bacf70b78305831897068a9b5ad30326e63bbeb92c4bf7e565fcf5e9e \ @@ -2746,10 +2806,10 @@ toolz==1.1.0 \ # chex # dask # partd -tqdm==4.67.1 \ - --hash=sha256:26445eca388f82e72884e0d580d5464cd801a3ea01e63e5601bdff9ba6a48de2 \ - --hash=sha256:f8aef9c52c08c13a65f30ea34f4e5aac3fd1a34959879d7e59e63027286627f2 - # via pymatgen +tqdm==4.69.0 \ + --hash=sha256:700c5e85dcd5f009dd6222588a29180a193a748247a5d855b4d67db93d79a53b \ + --hash=sha256:9979978912be667a6ef21fd5d8abf54e324e63d82f7f43c360792ebc2bc4e622 + # via pymatgen-core tree-math==0.2.1 \ --hash=sha256:77613c2360e067b16c0738b32e7d64aa5e1167e609ca1a32b6fa05dcb0d330bb \ --hash=sha256:80b01a5d29c1339db0cd8b465f9fad4f872adac117ed599b14f093a6c52821fe @@ -2775,7 +2835,7 @@ typing-extensions==4.15.0 \ uncertainties==3.2.3 \ --hash=sha256:313353900d8f88b283c9bad81e7d2b2d3d4bcc330cbace35403faaed7e78890a \ --hash=sha256:76a5653e686f617a42922d546a239e9efce72e6b35411b7750a1d12dcba03031 - # via pymatgen + # via pymatgen-core urllib3==2.6.2 \ --hash=sha256:016f9c98bb7e98085cb2b4b17b87d2c702975664e4f060c6532e64d1c1a5e797 \ --hash=sha256:ec21cddfe7724fc7cb4ba4bea7aa8e2ef36f607a4bab81aa6ce42a13dc3f03dd diff --git a/builddeps/requirements_lock_3_14.txt b/builddeps/requirements_lock_3_14.txt index 48e220700e..84a68b8a54 100644 --- a/builddeps/requirements_lock_3_14.txt +++ b/builddeps/requirements_lock_3_14.txt @@ -166,6 +166,108 @@ certifi==2025.11.12 \ --hash=sha256:97de8790030bbd5c2d96b7ec782fc2f7820ef8dba6db909ccf95449f2d062d4b \ --hash=sha256:d8ab5478f2ecd78af242878415affce761ca6bc54a22a27e026d7c25357c3316 # via requests +cffi==2.1.0 \ + --hash=sha256:02cb7ff33ded4f1532476731f89ede53e2e488a8e6205515a82144246ffa7dcc \ + --hash=sha256:03e9810d18c646077e501f661b682fbf5dee4676048527ca3cffe66faa9960dd \ + --hash=sha256:0520e1f4c35f44e209cbbb421b67eec42e6a157f59444dfb6058874ff3610e5d \ + --hash=sha256:0582a58f3051372229ca8e7f5f589f9e5632678208d8636fea3676711fdf7fe5 \ + --hash=sha256:0611e7ebf90573a535ebdc33ae9da222d037853983e13359f580fab781ca017f \ + --hash=sha256:0a42c688d19fca6e095a53c6a6e2295a5b050a8b289f109adab02a9e61a25de6 \ + --hash=sha256:0a96b74cda968eebbad56d973efe5098974f0a9fb323865bf99ea1fd24e3e64c \ + --hash=sha256:10537b1df4967ca26d21e5072d7d54188354483b91dc75058968d3f0cf13fbda \ + --hash=sha256:11b3fb55f4f8ad92274ed26705f65d8f91457de71f5380061eb6d125a768fecd \ + --hash=sha256:15faec4adfff450819f3aee0e2e02c812de6edb88203aa58807955db2003472a \ + --hash=sha256:164bff1657b2a74f0b6d54e11c9b375bc97b931f2ca9c43fcf875838da1570dd \ + --hash=sha256:1854b724d00f6654c742097d5387569021be12d3a0f770eae1df8f8acfcc6acd \ + --hash=sha256:19c54ac121cad98450b4896fa9a43ee0180d57bc4bc911a33db6cab1efab6cd3 \ + --hash=sha256:1b96bfe2c4bd825681b7d311ad6d9b7280a091f43e8f63da5729638083cd3bfb \ + --hash=sha256:1e9f50d192a3e525b15a75ab5114e442d83d657b7ec29182a991bc9a88fd3a66 \ + --hash=sha256:1ff3456eab0d889592d1936d6125bbfbc7ae4d3354a700f8bd80450a66445d4d \ + --hash=sha256:2282cd5e38aa8accd03e99d1256af8411c84cdbee6a89d841b563fdbd1f3e50f \ + --hash=sha256:276f20fffd7b396e12516ba8edf9509210ac248cbbc5acbc39cd512f9f59ebe6 \ + --hash=sha256:2b71d409cccee78310ab5dec549aed052aaea483346e282c7b02362596e01bb0 \ + --hash=sha256:2e9dabb9abcb7ad15938c7196ad5c1718a4e6d33cc79b4c0209bdb64c4a54a5c \ + --hash=sha256:30b65779d598c370374fefabf138d456fd6f3216bfa7bedfab1ba82025b0cd93 \ + --hash=sha256:33eb1ad83ebe8f313e0df035c406227d55a79456704a863fad9842136af5ad7d \ + --hash=sha256:35aaea0c7ee0e58a5cd8c2fd1a48fdf7ece0d2699b7ecdda08194e9ce5dd9b3d \ + --hash=sha256:3681e031db29958a7502f5c0c9d6bbc4c36cb20f7b104086fa642d1799631ff8 \ + --hash=sha256:379de10ce1ba048b1448599d1b37b24caee16309d1ac98d3982fc997f768700b \ + --hash=sha256:37f525a7e7e50c017fdebe58b787be310ad59357ae43a053943a6e1a6c526001 \ + --hash=sha256:3b926723c13eba9f81d2ef3820d63aeceec3b2d4639906047bf675cb8a7a500d \ + --hash=sha256:3d7f118b5adbfdfead90c25822690b02bc8074fba949bb7858bec4ebd55adb43 \ + --hash=sha256:46b1c8db8f6122420f32d02fffb924c2fe9bc772d228c7c711748fff56aabb2b \ + --hash=sha256:47ff3a8bfd8cb9da1af7524b965127095055654c177fcfc7578debcb015eecd0 \ + --hash=sha256:4d433a51f1870e43a13b6732f92aaf540ff77c2015097c78556f75a2d6c030e0 \ + --hash=sha256:4f26194e3d95e06501b942642855aed4f953d55e95d7d01b7c4483db3ecff458 \ + --hash=sha256:510aeeeac94811b138077451da1fb18b308a5feab47dd2b603af55804155e1c8 \ + --hash=sha256:5972433ad71a9e46516584ef60a0fda12d9dc459938d1539c3ddecf9bdc1368d \ + --hash=sha256:5ecbd0499275d57506d397eebe1981cee87b47fcd9ef5c22cab7ed7644a39a94 \ + --hash=sha256:6274dcb2d15cef48daa73ed1be5a40d501d74dccd0cd6db364776d12cb6ba022 \ + --hash=sha256:63960549e4f8dc41e31accb97b975abaecfc44c03e396c093a6436763c2ea7db \ + --hash=sha256:64c753a0f87a256020004f37a1c8c02c480e725f910f0b2a0f3f07debd1b2479 \ + --hash=sha256:6af371f3767faeffc6ac1ef57cdfd25844403e9d3f476c5537caee499de96376 \ + --hash=sha256:6ca4919c6e4f89aa99c42510b42cf54596892c00b3f9077f6bdd1505e24b9c8d \ + --hash=sha256:6d194185eabd279f1c05ebe3504265ddfc5ad2b58d0714f7db9f01da592e9eb6 \ + --hash=sha256:702c436735fbe99d59ada02a1f65cfc0d31c0ee8b7290912f8fbc5cd1e4b16c3 \ + --hash=sha256:716ff8ec22f20b4d988b12884086bcef0fc99737043e503f7a3935a6be99b1ea \ + --hash=sha256:762f99479dcb369f60ab9017ad4ab97a36a1dd7c1ee5a3b15db0f4b8659120cd \ + --hash=sha256:7762faa47e8ff7eb80bd261d9a7d8eea2d8baa69de5e95b70c1f338bbe712f02 \ + --hash=sha256:78474632761faa0fb96f30b1c928c84ebcf68713cbb80d15bab09dfe61640fde \ + --hash=sha256:799416bae98336e400981ff6e532d67d5c709cfb30afb79865a1315f94b0e224 \ + --hash=sha256:7d034dcffa09e9a46c93fa3a3be402096cb5354ac6e41ab8e5cc9cd8b642ad76 \ + --hash=sha256:7d28dff1db6764108bc30788d85d61c876beff416d9a49cb9dd7c5a9f34f5804 \ + --hash=sha256:7d3538f9c0e50670f4deb93dbb696576e60590369cae2faf7de681e597a8a1f1 \ + --hash=sha256:7d5980a3433d4b71a5e120f9dd551403d7824e31e2e67124fe2769c404c06913 \ + --hash=sha256:7ea6b3e2c4250ff1de21c630fe72d0f63eb95c2c32ffbf64a358cf4a8836d714 \ + --hash=sha256:86cf8755a791f72c85dc287128cc62d4f24d392e3f1e15837245623f4a33cccc \ + --hash=sha256:88023dfe18799507b73f1dbb0d14326a17465de1bc9c9c7655c22845e9ddc3a2 \ + --hash=sha256:89095c1968b4ba8285840e131bf2891b09ae137fe2146905acae0354fbce1b5e \ + --hash=sha256:8d35c139744adb3e727cd51b1a18324bbe44b8bd41bf8322bca4d41289f48eda \ + --hash=sha256:8e74a6135550c4748af665b1b1118b6aab33b1fc6a16f9aff630af107c3b4512 \ + --hash=sha256:8f9ec95b8a043d3dfbc74d9abc6f7baf524dd27a8dc160b0a32ff9cdab650c28 \ + --hash=sha256:90bec57cf82089383bd06a605b3eb8daebf7e5a668520beaf6e327a83a947699 \ + --hash=sha256:95f2954c2c9473d892eca6e0409f3568b37ab62a8eedb122461f73cc273476e3 \ + --hash=sha256:961be50688f7fba2fa65f63712d3b9b341a22311f5253460ce933f52f0de1c8c \ + --hash=sha256:98fff996e983a36d3aa2eca83af40c5821202e7e6f32d13ae94e3d2286f10cfe \ + --hash=sha256:9b8f0f26ca4e7513c534d351eca551947d053fac438f2a04ac96d882909b0d3a \ + --hash=sha256:9d72af0cf10a76a600a9690078fe31c63b9588c8e86bf9fd353f713c84b5db0f \ + --hash=sha256:9d8272c0e483b024e1b9ad029821470ed8ec65631dbd90217469da0e7cd89f1c \ + --hash=sha256:a016194dbe13d14ee9556e734b772d8d67b947092b268d757fd4290e3ba2dfc2 \ + --hash=sha256:a5781494d4d400a3f47f8f1da94b324f6e6b440a53387774002890a2a2f4b50f \ + --hash=sha256:a95b05f9baf29b91171b3a8bd2020b028835243e7b0ff6bb23e2a3c228518b1b \ + --hash=sha256:aa7a1b53a2a4452ada2d1b5dade9960b2522f1e61293a811a077439e39029565 \ + --hash=sha256:ac0f1a2d0cfa7eea3f2aaf006ab6e70e8feeb16b75d65b7e5939982ca2f11056 \ + --hash=sha256:af5e2915d41fe6c961694d7bfdc8562942638200f3ce2765dfb8b745cf997629 \ + --hash=sha256:b6422532152adf4e59b110cb2808cee7a033800952f5c036b4af047ee43199e7 \ + --hash=sha256:b65f590ef2a44640f9a05dbb548a429b4ade77913ce683ac8b1480777658a6c0 \ + --hash=sha256:ba00f661f8ba35d075c937174e27c2c421cec3942fd2e0ea3e66996757c0fdd9 \ + --hash=sha256:bccbbb5ee76a61f9d99b5bf3846a51d7fca4b6a732fe46f89295610edaf41853 \ + --hash=sha256:bf01d8c84cbea96b944c73b22182e6c7c432b3475632b8111dbfdc95ddad6e13 \ + --hash=sha256:bf5c6cf48238b0eb4c086978c492ad1cbc22373fc5b2d7353b3a598ce6db887a \ + --hash=sha256:c16914df9fb7f500e440e6875fa23ff5e0b31db01fa9c06af98d59a91f0dc2e4 \ + --hash=sha256:c351efb95e832a853a29361675f33a7ce53de1a109cd73fd47af0712213aa4ce \ + --hash=sha256:c4165821e131d6d4ca444347c2b694e2311bcfa3fe5a861cc72968f28867beac \ + --hash=sha256:c5f5df567f6eb216de69be06ce55c8b714090fae02b18a3b40da8163b8c5fa9c \ + --hash=sha256:c941bb58d5a6e1c3892d86e42927ed6c180302f07e6d395d08c416e594b98b46 \ + --hash=sha256:c97f080ea627e2863524c5af3836e2270b5f5dfff1f104392b959f8df0c5d384 \ + --hash=sha256:cb96698e3c7413d906ce83f8ffd245ec1bd94707541f299d0ce4d6b0193e982b \ + --hash=sha256:cbb7640ce37159548d2147b5b8c241f962143d4c71231431820783f4dc78f210 \ + --hash=sha256:cdf2448aab5f661c9315308ec8b93f4e8a1a67a3c733f8631067a2b67d5913dc \ + --hash=sha256:d2117334c3af3bdcb9a88522b844a2bdb5efdc4f71c6c822df55486ae1c3347a \ + --hash=sha256:d53d10f7da99ae46f7373b9150393e9c5eab9b224909982b43832668de4779f5 \ + --hash=sha256:d9fafc5aa2e2a39aaf7f8cc0c1f044a9b07fca12e558dca53a3cc5c654ad67a7 \ + --hash=sha256:db3eb7d46527159a878ec3460e9d40615bc25ba337d477db681aea6e4f05c5d2 \ + --hash=sha256:dbf7c7a88e2bac086f06d14577332760bdeecc42bdec8ac4077f6260557d9326 \ + --hash=sha256:df2b82571a1b30f58a87bf4e5a9e78d2b1eff6c6ce8fd3aa3757221f93f0863f \ + --hash=sha256:df92f2aba50eb4d96718b68ef76f2e57a57b54f2fa62333496d16c6d585a85ca \ + --hash=sha256:eb4e8997a49aa2c08a3e43c9045d224448b8941d88e7ac163c7d383e560cbf98 \ + --hash=sha256:efc1cdd798b1aaf39b4610bba7aad28c9bea9b910f25c784ccf9ec1fa719d1f9 \ + --hash=sha256:f146d154428a2523f9cc7936c02353c2459b8f6cf07d3cd1ee1c0a611109c5d5 \ + --hash=sha256:f5bce581e6b8c235e566a14768a943b172ada3ed73537bb0c0be1edee312d4e7 \ + --hash=sha256:f9912624a0c0b834b7520d7769b3644453aabc0a7e1c839da7359f050750e9bc \ + --hash=sha256:fb62edb5bb52cca65fab91a63afa7561607120d26090a7e8fda6fb9f064726da \ + --hash=sha256:ff067a8d8d880e7809e4ac88eb009bb848870115317b306666502ccad30b147f + # via cryptography charset-normalizer==3.4.4 \ --hash=sha256:027f6de494925c0ab2a55eab46ae5129951638a49a34d87f4c3eda90f696b4ad \ --hash=sha256:077fbb858e903c73f6c9db43374fd213b0b6a778106bc7032446a8e8b5b38b93 \ @@ -371,6 +473,54 @@ contourpy==1.3.3 \ --hash=sha256:fd914713266421b7536de2bfa8181aa8c699432b6763a0ea64195ebe28bff6a9 \ --hash=sha256:fde6c716d51c04b1c25d0b90364d0be954624a0ee9d60e23e850e8d48353d07a # via matplotlib +cryptography==49.0.0 \ + --hash=sha256:026ac7423e6fa66872d3bf889be5974507da3944f866f704fa200eadacd00001 \ + --hash=sha256:07cab27cc7b7e0fd28e5e26bb9eeedde5c135c868b46de4a27845abe94af6122 \ + --hash=sha256:084ef1af862eb07ec46d25f68689f2102a9fc0e05ce7b80f14f5fe51e4eef0f6 \ + --hash=sha256:0b82e28ee398a386f0807bba7884d30f25218855690f45115831bcce5d90822c \ + --hash=sha256:0e959b578856a3924bc0cbb710fc12c387b9412a951389f3ca61704a9e25f325 \ + --hash=sha256:0f21641cf4b30fca7aee061ced0ec7ad7b073518088b7c9969a297c0ae796c69 \ + --hash=sha256:196ecd6a36e4e9aa10270393bb98d8df88fccee0bf1e5128b91ae4eb4375896d \ + --hash=sha256:2400ef9c9e2299a25614eb1dea3db54a69b1349efd043bfac9c67630d136df36 \ + --hash=sha256:28d8b15e6275f12c8a207dc309dfa957903c927d08d0cc937ee3f63f200693cc \ + --hash=sha256:2afe9051da7ae7bd5905da5a949280c7d2bb75682e188f650a9d0f2756b834c6 \ + --hash=sha256:2eda353d8a27bcbcaa4cbed18994a74ab4d19a2ca897db188ea269ab9b71419b \ + --hash=sha256:32703d93296f5c1f4b53349ad3a250c2cae0fdecd3a3dd5d47e616d8d616af27 \ + --hash=sha256:33cd0565932807baddb67b96dbee92f2c374b5c89dee09fd74079aeb8c8dba61 \ + --hash=sha256:35b151772baff2c74cba7fa290ceaff4c3b11c0c881eb93eb5dbc05a7cfbba18 \ + --hash=sha256:36d1709f992593689b45bda411498d62c6e365f2ca00b84657d4dadd24de16db \ + --hash=sha256:42b0684e0e40cf26122427802486f6d93aea593612603a94fbf260c7eb1e9c1b \ + --hash=sha256:4ae387c9cb68ea569ca17e490d66d8142b81c3cc814bf179974b7d146e490bbb \ + --hash=sha256:53ecee2e23f7169b6117e99fc8a944e5e50f79e69758a83b52a00cb98ab2b2d2 \ + --hash=sha256:66ec79c3904820572d7e987abdf304281f141d37ad9a489b8e97066e7b9b6459 \ + --hash=sha256:67e1d20ad9ef3a563c59ef22e7a8a0b8210bd26604369ea4a30a7c66aefe504e \ + --hash=sha256:6f2debedf9ca60cf1d5bd466475638af5130f89965605cd818484d19987d3a21 \ + --hash=sha256:6fc361c34fb6aac015ce19435876635e5c6d21db31998b0920f675f131e043b8 \ + --hash=sha256:73a205dce83953d131a4aa1e0fd917a2fd1c5b1eef251e9d7152efefcbf5caf7 \ + --hash=sha256:7abcee80084cda3f7691f3eb1ce480d8df49cec637b429aa35986c1de71738aa \ + --hash=sha256:8c25ceb16df5b9435f3f6a9829204985b0e0cbee3b48aacd432c7d2c850b44d9 \ + --hash=sha256:966fe0e9c67490071f14c0d2b1cb2dfb3023c5ce39457343931415f08382f2db \ + --hash=sha256:9e82dcc8e56052715fb18b2429e3bca4823b1629136a2084fc45a9a5cecb9b64 \ + --hash=sha256:b20133d204d2bb56ba047642199603876c872026ca53e79c35b83772ab2cc505 \ + --hash=sha256:b39efa323140595abd3ecca8529d321ae50f55f3aa3ba9cc81ea56a6011953d5 \ + --hash=sha256:b47db11c2c3525083296069b98ac5221907455e989ae0c2e3008bde851921615 \ + --hash=sha256:b87e65d263b3e5d3bb92a57e2a6638e2f31110fa7aa890c7b2dbba42248d0a3f \ + --hash=sha256:b970c6da94d5bb18629db453d14f2a1300f6bf59b61e9b82377931ef95504866 \ + --hash=sha256:be9fcb48a55f023493482827d4f459bd263cc20efde64f204b97c123201850c6 \ + --hash=sha256:c2bc30226390d60ea19d9f82b19db005fe0452154a23c1c410c12ea801e43561 \ + --hash=sha256:c83782480a4a9da4d0feb51950131ba32e12e70813848b3343f6e18c28a66838 \ + --hash=sha256:cbc77da8c523d5abd028635ba850a6966fcee2c82e2bf65a41d1d8afe0f98be9 \ + --hash=sha256:ccac2bfebc306b862133e3bb71f3f6ee8bb525240089b2d952e4144b3a6d5da7 \ + --hash=sha256:d0527ce944105f257f605a827d6ebead966c752038b6e8656abb9c5edee6fc68 \ + --hash=sha256:d8ecde755e2e91bf773fc94e8c9d730cd7f2007004cb492263a794ec3899a1c8 \ + --hash=sha256:e3fb64c420688e5319ae25113a354015abbd8dffbfbc41781a1ea66fc7622ac3 \ + --hash=sha256:e5dfc1e64de5677cec922ffa8da89c546d0415bf6efdf081842e5d44c84e1f0e \ + --hash=sha256:ec5e529fb80935c94fe7b729f9972b50e351a0e6b50aa294fd5cabb109fcc29a \ + --hash=sha256:f37d847238971164fdbc68ade6f6574aecc9c0af714190e2083429ff68f4ce9d \ + --hash=sha256:f78ff2c9ed8dc2d036b0f4d640e22522213d047c1b14e61205a7e55c80a494d4 \ + --hash=sha256:f89660a348f4f78a92366240a61404e337586ef7f5909a2fef59ca88ef505493 \ + --hash=sha256:fc1e275c2f1d97b1a6450b8b0ea3ebfa6e087a611c2b26cb2404d48588abab7b + # via pyopenssl cycler==0.12.1 \ --hash=sha256:85cef7cff222d8644161529808465972e51340599459b8ac3ccbac5a854e0d30 \ --hash=sha256:88bb128f02ba341da8ef447245a9e138fae777f6a23943da4540077d3601eb1c @@ -406,20 +556,18 @@ einops==0.8.1 \ --hash=sha256:919387eb55330f5757c6bea9165c5ff5cfe63a642682ea788a6d472576d81737 \ --hash=sha256:de5d960a7a761225532e0f1959e5315ebeafc0cd43394732f103ca44b9837e84 # via jax-md -etils[epath]==1.13.0 \ +etils[epath, epy]==1.13.0 \ --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb # via # orbax-checkpoint # xprof -etils[epy]==1.13.0 \ - --hash=sha256:a5b60c71f95bcd2d43d4e9fb3dc3879120c1f60472bb5ce19f7a860b1d44f607 \ - --hash=sha256:d9cd4f40fbe77ad6613b7348a18132cc511237b6c076dbb89105c0b520a4c6bb - # via orbax-checkpoint flax==0.12.2 \ --hash=sha256:912fdd8a7c623ec8b2694b28d2827608e7fc82a3a6f8fff17ec5038f2bca66f4 \ --hash=sha256:e9723b0881e571abe61885bb8770f53fdb3c383b6b3f5a923dcf6f1e9a687905 - # via jax-md + # via + # jax-md + # jaxpi flexcache==0.3 \ --hash=sha256:18743bd5a0621bfe2cf8d519e4c3bfdf57a269c15d1ced3fb4b64e0ff4600656 \ --hash=sha256:d43c9fea82336af6e0115e308d9d33a185390b8346a017564611f1466dcd2e32 @@ -902,35 +1050,27 @@ idna==3.11 \ importlib-resources==6.5.2 \ --hash=sha256:185f87adef5bcc288449d98fb4fba07cea78bc036455dd44c5fc4a2fe78fed2c \ --hash=sha256:789cfdc3ed28c78b67a06acb8126751ced69a3d5f79c095a98298cd8a760ccec - # via - # -r builddeps/test-requirements.txt - # etils + # via etils jaraco-functools==4.4.0 \ --hash=sha256:9eec1e36f45c818d9bf307c8948eb03b2b56cd44087b3cdc989abca1f20b9176 \ --hash=sha256:da21933b0417b89515562656547a77b4931f98176eb173644c0d35032a33d6bb # via cheroot -jax==0.8.2 \ +jax[cuda12]==0.8.2 \ --hash=sha256:1a685ded06a8223a7b52e45e668e406049dbbead02873f2b5a4d881ba7b421ae \ --hash=sha256:d0478c5dc74406441efcd25731166a65ee782f13c352fa72dc7d734351909355 # via # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt # chex # dinosaur # e3nn-jax # flax # jax-md + # jaxpi # jraph # neuralgcm # optax # orbax-checkpoint # tree-math -jax[cuda12]==0.8.2 \ - --hash=sha256:1a685ded06a8223a7b52e45e668e406049dbbead02873f2b5a4d881ba7b421ae \ - --hash=sha256:d0478c5dc74406441efcd25731166a65ee782f13c352fa72dc7d734351909355 - # via - # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt jax-cuda12-pjrt==0.8.2 \ --hash=sha256:717a1b196a642409ce195ddf031c20bbeadcc886f55e49a1d3f4927373aeedae \ --hash=sha256:e3bab41ca7c48e4163db9e7efd271b3aa85f0fe45f5ed0708d6bbed93a59f977 @@ -978,7 +1118,6 @@ jaxlib==0.8.2 \ --hash=sha256:f472cc72e3058e50b5f0230b236d5a1183bf6c3d5423d2a52eff07bcf34908de # via # -r builddeps/requirements.in - # -r builddeps/test-requirements.txt # chex # dinosaur # e3nn-jax @@ -987,6 +1126,9 @@ jaxlib==0.8.2 \ # jraph # neuralgcm # optax +jaxpi @ https://github.com/vimarsh6739/jaxpi/archive/6c22cfa9ac17eac4993aebf454b3af5d074fe430.tar.gz \ + --hash=sha256:3d0a0e003718c18d8ed588da053cefe467f86b0245461f7131dc422638ff9b32 + # via -r builddeps/test-requirements.txt jmp==0.0.4 \ --hash=sha256:5dfeb0fd7c7a9f72a70fff0aab9d0cbfae32a809c02f4037ff3485ceb33e1730 \ --hash=sha256:6aa7adbddf2bd574b28c7faf6e81a735eb11f53386447896909c6968dc36807d @@ -1665,6 +1807,7 @@ numpy==2.4.0 \ # jax # jax-md # jaxlib + # jaxpi # jmp # jraph # matplotlib @@ -1765,6 +1908,7 @@ optax==0.2.6 \ # via # flax # jax-md + # jaxpi # neuralgcm orbax-checkpoint==0.11.31 \ --hash=sha256:b00e39cd61cbd6c7c78b091ccac0ed1bbf3cf7788e761618e7070761195bfcc0 \ @@ -2219,6 +2363,10 @@ pyasn1-modules==0.4.2 \ --hash=sha256:29253a9207ce32b64c3ac6600edc75368f98473906e8fd1043bd6b5b1de2c14a \ --hash=sha256:677091de870a80aae844b1ca6134f54652fa2c8c5a52aa396440ac3106e941e6 # via google-auth +pycparser==3.0 \ + --hash=sha256:600f49d217304a5902ac3c37e1281c9fe94e4d0489de643a9504c5cdfdfc6b29 \ + --hash=sha256:b727414169a36b7d524c1c3e31839a521725078d7b2ff038656844266160a992 + # via cffi pygments==2.19.2 \ --hash=sha256:636cb2477cec7f8952536970bc533bc43743542f70392ae026374600add5b887 \ --hash=sha256:86540386c03d588bb81d44bc3928634ff26449851e99741617ecb9037ee5ec0b @@ -2254,6 +2402,10 @@ pymatgen==2025.10.7 \ --hash=sha256:f4d0c605a0b8d0573973b2eb5491e80110438fe053d16fc6d7365df951123f58 \ --hash=sha256:ff89c4b16271fba2f15cf3984f3b27daefca99fe40e222cc8dbbd8bf35c9a47b # via jax-md +pyopenssl==26.3.0 \ + --hash=sha256:46367f8f66b92271e6d218da9c87607e1ef5a0bc5c8dea5bb3db82f395c385a3 \ + --hash=sha256:589de7fae1c9ea670d18422ed00fc04da787bbde8e1454aea872aa57b49ad341 + # via xprof pyparsing==3.3.1 \ --hash=sha256:023b5e7e5520ad96642e2c6db4cb683d3970bd640cdf7115049a6e9c3682df82 \ --hash=sha256:47fad0f17ac1e2cad3de3b458570fbc9b03560aa029ed5e16ee5554da9a2251c @@ -2795,17 +2947,11 @@ xarray-tensorstore==0.3.0 \ --hash=sha256:3f01a8182b2d09b6e9a365b206a648fd0bbbb0dd6b676b3b86864f8e52d5495e \ --hash=sha256:f8415bda9f4dd52857c62ee280a6d19c7e5c596bdc8be7818635ea4bc38d6a97 # via dinosaur -xprof==2.21.3 \ - --hash=sha256:279df925f48e7653ce01b949eaeafcf59d350725da6b63e806a1ee435463d49d \ - --hash=sha256:34228f785ddb20f67ad8c5cce90ebce3aefa615580e08ed65f7400930d75719d \ - --hash=sha256:5fee47c11dfcf4f1f17304252bf2b89dee6b433f107ca61018c60c5190a702c6 \ - --hash=sha256:72478cd6cd4965d7180dee9641e8bb9dcc3404bf28f4a1ecf5421c2e6f8848df \ - --hash=sha256:b903f382ade22f62d88d98124415fb705e81c58de124b02503445b54540587c5 \ - --hash=sha256:b9ab56c2aba80f438aec8e3d2adb5524c08533ebb0b84b023536364236a53f14 \ - --hash=sha256:e109785fea440b867fbef946dcda06817c00cb97455411f7855c9b410f2f49e5 \ - --hash=sha256:ec01713b8d5c304d91efd5bd3c3a436177297cdae23ab32c2ee3a1b4b8b75044 \ - --hash=sha256:ec524473ea3439ca831f5fd5ea4f6a18a4000c1b525216f4a3a01b6dc8df810d \ - --hash=sha256:f2e453c589a73b8e5bc6c96e702e9b18c4a26b1b981c7dc98f61f7216db092e5 +xprof==2.22.3 \ + --hash=sha256:0c5c2a6ca4276220acf2e487d38aeae5f8c7e0e6e9fe4a40c82a8281462e3fdb \ + --hash=sha256:211bd72c45e2aa9b70d8bb6ce29978f53aecf5ddc7fd03a4b1043f3f00e1366e \ + --hash=sha256:3c20bc2a32f31c8579f6dd1b119d1c8ff725c9d53dd2f6516effbb27b79896f2 \ + --hash=sha256:55326c479458d44c6d77d33093b2d9a32237812ae700a4559a29ce4337a5cbf0 # via -r builddeps/test-requirements.txt yarl==1.22.0 \ --hash=sha256:01e73b85a5434f89fc4fe27dcda2aff08ddf35e4d47bbbea3bdcd25321af538a \ diff --git a/builddeps/test-requirements.txt b/builddeps/test-requirements.txt index 674ae88836..86291c5506 100644 --- a/builddeps/test-requirements.txt +++ b/builddeps/test-requirements.txt @@ -4,6 +4,7 @@ xprof >= 2.20 protobuf >= 6 jax-md; sys_platform == 'linux' +jaxpi @ https://github.com/vimarsh6739/jaxpi/archive/6c22cfa9ac17eac4993aebf454b3af5d074fe430.tar.gz # maxtext can't be installed concurrently, but installing it fixes # https://github.com/wsmoses/maxtext/archive/bc50722be7d89e4003bd830b80e4ac968be658eb.tar.gz; python_version < "3.12" diff --git a/test/BUILD b/test/BUILD index 301657e62e..df8a002a11 100644 --- a/test/BUILD +++ b/test/BUILD @@ -141,6 +141,19 @@ py_test( }), ) +py_test( + name = "jaxpi_benchmark", + timeout = "long", + srcs = [ + "jaxpi_benchmark.py", + "test_utils.py", + "xprof_utils.py", + ], + imports = ["."], + tags = ["exclusive"], + deps = TEST_DEPS + ["@pypi_jaxpi//:pkg"], +) + py_test( name = "neuralgcm_test", timeout = "eternal", @@ -193,6 +206,7 @@ test_suite( tests = [ ":bench_vs_xla", ":jaxmd", + ":jaxpi_benchmark", ":llama", ":neuralgcm_test", ":test", diff --git a/test/jaxpi_benchmark.py b/test/jaxpi_benchmark.py new file mode 100644 index 0000000000..ce1fddedef --- /dev/null +++ b/test/jaxpi_benchmark.py @@ -0,0 +1,51 @@ +from absl.testing import absltest + +from test_utils import EnzymeJaxBenchmark + + +class JAXPIAdvection(EnzymeJaxBenchmark): + def setUp(self): + import jax.numpy as jnp + from jax import random + from jax.tree_util import tree_map + from jaxpi.archs import Mlp + + model = Mlp( + num_layers=2, + hidden_dim=16, + out_dim=1, + activation="tanh", + periodicity={ + "period": (1.0,), + "axis": (1,), + "trainable": (False,), + }, + fourier_emb=None, + reparam=None, + ) + + t = jnp.asarray(0.25, dtype=jnp.float32) + x = jnp.asarray(1.0, dtype=jnp.float32) + params = model.init(random.PRNGKey(0), jnp.stack((t, x))) + + def forward(params, t, x): + return model.apply(params, jnp.stack((t, x)))[0] + + self.fn = forward + self.name = "jaxpi_advection_mlp_2x16" + self.repeat = 2 + + self.ins = [params, t, x] + self.dins = [ + tree_map(lambda value: jnp.full_like(value, 0.01), params), + jnp.asarray(0.01, dtype=jnp.float32), + jnp.asarray(0.01, dtype=jnp.float32), + ] + self.douts = jnp.asarray(1.0, dtype=jnp.float32) + + self.atol = 1e-5 + self.rtol = 1e-5 + + +if __name__ == "__main__": + absltest.main() diff --git a/test/test_utils.py b/test/test_utils.py index a18b1df03d..c99bb15926 100644 --- a/test/test_utils.py +++ b/test/test_utils.py @@ -885,3 +885,7 @@ def harness(self, name, in_fn, ins, dins, douts): self.pretty_print_table( name, pname, backend, "BothRev", runtime ) + + +class EnzymeJaxBenchmark(EnzymeJaxTest): + """Benchmark case that checks and times primal, JVP, and VJP execution."""